N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
Chemical Structure Depiction of
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D614-0208 |
| Compound Name: | N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]benzamide |
| Molecular Weight: | 483.96 |
| Molecular Formula: | C27 H22 Cl N5 O2 |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1)=O)C([H])([H])c1cccc(c1)[Cl])c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4877 |
| logD: | 5.4234 |
| logSw: | -5.8159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.53 |
| InChI Key: | AJHLSTHGWKRHIA-UHFFFAOYSA-N |