2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(4-ethylphenyl)acetamide
2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | C656-0255 |
| Compound Name: | 2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C21 H19 Cl N6 O2 |
| Smiles: | CCc1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3113 |
| logD: | 3.3113 |
| logSw: | -3.6402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.171 |
| InChI Key: | ZRBIQFGXRVCVJW-UHFFFAOYSA-N |