Basic information
- CAS
374549-24-3- Standard SMILES
C=CCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S- InChIKey
UADDGFHHCZETQQ-XLNRJJMWSA-N- Molecular formula
- C27H27N5O2S2
- Average molar mass
- 517.7 g/mol
- Monoisotopic mass
- 517.16061747
Names & identifiers
- Preferred name
- 3-((Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-benzyl-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
- IUPAC
- (5Z)-5-[[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- SALOR-INT L247146-1EA
- Molecular formula
- C27H27N5O2S2
- Molecular weight
- 517.67
Names & synonyms
3-[(Z)-(3-ALLYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-(4-BENZYL-1-PIPERAZINYL)-9-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE3-((Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-benzyl-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-oneRefChem:489050374549-24-3650-062-3STK877062AKOS0021681572-(4-benzylpiperazin-1-yl)-9-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-oneSALOR-INT L247146-1EA4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-[[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]methyl]-2-[4-(phenylmethyl)-1-piperazinyl]-
Database identifiers
- CAS
374549-24-3- PubChem CID
- 5773760
- EC Number
- 650-062-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 566.4 · 566.4±60.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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