5-[2-({1-[(2-chlorophenyl)methyl]-3,7-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-({1-[(2-chlorophenyl)methyl]-3,7-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-({1-[(2-chlorophenyl)methyl]-3,7-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: | 8013-0318 |
| Compound Name: | 5-[2-({1-[(2-chlorophenyl)methyl]-3,7-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(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2745 |
| logD: | 2.2713 |
| logSw: | -3.0645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.01 |
| InChI Key: | WVRVQCQRLABLDR-UHFFFAOYSA-N |