3-{1-[(2-anilino-2-oxoethyl)sulfanyl]-7-chloro-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{1-[(2-anilino-2-oxoethyl)sulfanyl]-7-chloro-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{1-[(2-anilino-2-oxoethyl)sulfanyl]-7-chloro-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0204 |
| Compound Name: | 3-{1-[(2-anilino-2-oxoethyl)sulfanyl]-7-chloro-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C23 H23 Cl N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2cc(ccc2n2c1nnc2SCC(Nc1ccccc1)=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9615 |
| logD: | 2.9615 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.157 |
| InChI Key: | KUOWERZDUGYEHL-UHFFFAOYSA-N |