N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0346 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-[3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 408.85 |
| Molecular Formula: | C20 H17 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(NCc3ccccc3[Cl])=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6764 |
| logD: | 2.6764 |
| logSw: | -3.3174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.63 |
| InChI Key: | VKZKRDQCXSFMQU-UHFFFAOYSA-N |