5-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
5-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | 8013-0342 |
| Compound Name: | 5-[2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]-2-phenyl-2H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 559.61 |
| Molecular Formula: | C26 H25 N9 O4 S |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2c(C(N)=O)nn(c3ccccc3)n2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6702 |
| logD: | 2.6669 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.966 |
| InChI Key: | OWIORHKQYTYEOR-UHFFFAOYSA-N |