2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | 8012-7184 |
| Compound Name: | 2-({1-[(2-chlorophenyl)methyl]-3,7-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(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)SCC(NCCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3449 |
| logD: | 3.3449 |
| logSw: | -3.5672 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.372 |
| InChI Key: | AKMNBGAYSMHFNG-UHFFFAOYSA-N |