3-[1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-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-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0043 |
| Compound Name: | 3-[1-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C24 H26 N6 O3 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc(C)cc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6689 |
| logD: | 2.6689 |
| logSw: | -3.4446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.157 |
| InChI Key: | VXNHQGLTPVRIMK-UHFFFAOYSA-N |