2-[(4-cyclohexyl-5-phenyl-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-phenyl-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-phenyl-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: | 8013-5323 |
| Compound Name: | 2-[(4-cyclohexyl-5-phenyl-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: | 544.7 |
| Molecular Formula: | C28 H28 N6 O2 S2 |
| Smiles: | C1CCC(CC1)n1c(c2ccccc2)nnc1SCC(Nc1ncc2C(CC(Cc2n1)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0563 |
| logD: | 4.9541 |
| logSw: | -4.6539 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.338 |
| InChI Key: | PERWUBASMZXYAY-IBGZPJMESA-N |