5-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-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-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-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-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-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: | 8012-7595 |
| Compound Name: | 5-[2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-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: | 580.02 |
| Molecular Formula: | C25 H22 Cl N9 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])SCC(Nc2c(C(N)=O)nn(c3ccccc3)n2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8684 |
| logD: | 2.8651 |
| logSw: | -3.4361 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.966 |
| InChI Key: | DBOGWXIYYBUWNS-UHFFFAOYSA-N |