N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-phenylpropanamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-phenylpropanamide
N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | D433-0963 |
| Compound Name: | N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-phenylpropanamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(CCc1ccccc1)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7117 |
| logD: | 1.0591 |
| logSw: | -4.2985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | FZHYHSLVUGYRSJ-UHFFFAOYSA-N |