2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | 8013-1629 |
| Compound Name: | 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-oxo-7-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide |
| Molecular Weight: | 539.66 |
| Molecular Formula: | C29 H29 N7 O2 S |
| Smiles: | C1CCC(CC1)n1c(c2cccnc2)nnc1SCC(Nc1ncc2C(CC(Cc2n1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1437 |
| logD: | 4.0333 |
| logSw: | -4.1341 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.838 |
| InChI Key: | MZHJYBXXAGHYNR-OAQYLSRUSA-N |