N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-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: | C656-0034 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(Nc4ccc5c(c4)OCO5)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0424 |
| logD: | 2.0424 |
| logSw: | -2.8996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.287 |
| InChI Key: | VYDYOZXUIMEWGB-UHFFFAOYSA-N |