4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile
Chemical Structure Depiction of
4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile
4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile
Compound characteristics
| Compound ID: | C202-0727 |
| Compound Name: | 4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzonitrile |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C23 H19 N5 O S |
| Smiles: | C1CC2=C(C(c3ccc(C#N)cc3)n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9969 |
| logD: | 3.935 |
| logSw: | -4.3711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.123 |
| InChI Key: | DCTFHIOLCFPJSC-NRFANRHFSA-N |