N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0077 |
| Compound Name: | N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 450.93 |
| Molecular Formula: | C23 H23 Cl N6 O2 |
| Smiles: | CC1=C(CCC(NCc2ccccc2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0487 |
| logD: | 3.0055 |
| logSw: | -3.5398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.092 |
| InChI Key: | ZWMIWXYEPZQXPK-UHFFFAOYSA-N |