N-(4-acetamidophenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(4-acetamidophenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
Compound characteristics
| Compound ID: | C656-0042 |
| Compound Name: | N-(4-acetamidophenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C22 H21 N7 O3 |
| Smiles: | CC(Nc1ccc(cc1)NC(CN1C=Nc2c(C1=O)nnn2Cc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4105 |
| logD: | 1.4105 |
| logSw: | -2.1277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.433 |
| InChI Key: | RMODOLQVNMPDQA-UHFFFAOYSA-N |