3-[1-{[(2-chloro-4-fluorophenyl)methyl]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-chloro-4-fluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0030 |
| Compound Name: | 3-[1-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 473.96 |
| Molecular Formula: | C22 H21 Cl F N5 O2 S |
| Smiles: | CC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7473 |
| logD: | 3.7473 |
| logSw: | -4.148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.008 |
| InChI Key: | RNIBNRNXKYSNDG-UHFFFAOYSA-N |