N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylacetamide
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]-2-phenylacetamide
N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylacetamide
Compound characteristics
| Compound ID: | D433-0960 |
| Compound Name: | N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-phenylacetamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(Cc1ccccc1)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3525 |
| logD: | 0.6999 |
| logSw: | -3.7726 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | KDBKXRIWWMRYDT-UHFFFAOYSA-N |