2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
Compound characteristics
| Compound ID: | 5236-0357 |
| Compound Name: | 2-{[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[5-oxo-7-(thiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C27 H27 N7 O2 S2 |
| Smiles: | C1CCC(CC1)n1c(c2cccnc2)nnc1SCC(Nc1ncc2C(CC(Cc2n1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6808 |
| logD: | 3.5705 |
| logSw: | -3.761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.856 |
| InChI Key: | VQUQCFRWHQDINN-SFHVURJKSA-N |