N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
N-(3,4-dimethoxyphenyl)-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: | C656-0033 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{3-[(4-methylphenyl)methyl]-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C22 H22 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(CC(Nc4ccc(c(c4)OC)OC)=O)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7442 |
| logD: | 1.7442 |
| logSw: | -2.4301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.432 |
| InChI Key: | XHKGDHRYCZZVFU-UHFFFAOYSA-N |