2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8012-9060 |
| Compound Name: | 2-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2[Cl])SCC(NCCc2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9388 |
| logD: | 3.9388 |
| logSw: | -4.1612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.328 |
| InChI Key: | HHBRTAUGKMIQRQ-UHFFFAOYSA-N |