Basic information
- CAS
500144-61-6- Standard SMILES
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)CC1- InChIKey
UDCVKOPLDSEUOA-JWGURIENSA-N- Molecular formula
- C27H29N5O2S2
- Average molar mass
- 519.7 g/mol
- Monoisotopic mass
- 519.17626753
Names & identifiers
- Preferred name
- 2-(4-Ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-TH ioxo-1,3-thiazolidin-5-ylidene]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-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
500144-61-62-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-3-((Z)-(3-(4-METHYLBENZYL)-4-OXO-2-TH IOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE2-(4-Ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-TH ioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-oneRefChem:457534646-014-62-(4-ethylpiperazin-1-yl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one(Z)-5-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-oneSTL025338AKOS0016632062-(4-ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
500144-61-6- PubChem CID
- 5933859
- EC Number
- 646-014-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,110
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…