3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(propan-2-yl)propanamide
3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | D481-0055 |
| Compound Name: | 3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(propan-2-yl)propanamide |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H23 Cl N6 O2 |
| Smiles: | CC(C)NC(CCC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2567 |
| logD: | 2.2135 |
| logSw: | -3.3086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.338 |
| InChI Key: | HYGRCEVVBQRNTE-UHFFFAOYSA-N |