5-[2-({1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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: | 8013-0341 |
| Compound Name: | 5-[2-({1-[(2,4-dichlorophenyl)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: | 614.47 |
| Molecular Formula: | C25 H21 Cl2 N9 O4 S |
| Smiles: | CN1C(N(Cc2ccc(cc2[Cl])[Cl])C(c2c1nc(n2C)SCC(Nc1c(C(N)=O)nn(c2ccccc2)n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.024 |
| logD: | 3.0208 |
| logSw: | -3.462 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.01 |
| InChI Key: | HKZXRPVJGBMSAH-UHFFFAOYSA-N |