3-{7-chloro-1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{7-chloro-1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{7-chloro-1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0188 |
| Compound Name: | 3-{7-chloro-1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 404.88 |
| Molecular Formula: | C17 H17 Cl N6 O2 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(ccc2n2c1nnc2SCC#N)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7418 |
| logD: | 1.7418 |
| logSw: | -3.0124 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.771 |
| InChI Key: | PUUORBKPDIFHMA-UHFFFAOYSA-N |