N-(4-acetylphenyl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(4-acetylphenyl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0265 |
| Compound Name: | N-(4-acetylphenyl)-2-{3-[(4-chlorophenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 436.86 |
| Molecular Formula: | C21 H17 Cl N6 O3 |
| Smiles: | CC(c1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9227 |
| logD: | 1.9226 |
| logSw: | -3.0614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.998 |
| InChI Key: | VNCSTOJRGQWEJJ-UHFFFAOYSA-N |