2-(4-Ethyl-1-piperazinyl)-3-((Z)-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
Basic information
- CAS
497244-47-0- Standard SMILES
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)CC1- InChIKey
XFZYNHWQUNCUMH-JWGURIENSA-N- Molecular formula
- C27H29N5O3S2
- Average molar mass
- 535.7 g/mol
- Monoisotopic mass
- 535.17118215
Names & identifiers
- Preferred name
- 2-(4-Ethyl-1-piperazinyl)-3-((Z)-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
- IUPAC
- (5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L432830-1EA
- Molecular formula
- C27H29N5O3S2
- Molecular weight
- 535.68
Names & synonyms
2-(4-ETHYL-1-PIPERAZINYL)-3-{(Z)-[3-(4-METHOXYBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE497244-47-02-(4-Ethyl-1-piperazinyl)-3-((Z)-(3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-oneRefChem:457524647-150-9(Z)-5-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-oneSTK982880AKOS0021798522-(4-ethylpiperazin-1-yl)-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-oneSALOR-INT L432830-1EA2-(4-ETHYL-1-PIPERAZINYL)-3-((Z)-[3-(4-METHOXYBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL)-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-ethyl-1-piperazinyl)-3-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-9-methyl-
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 595.3 · 595.3±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.08 · 9.08±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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