2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)acetamide
2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8015-0075 |
| Compound Name: | 2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nc2c(C(N(Cc3ccccc3[Cl])C(N2C)=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0736 |
| logD: | 4.0736 |
| logSw: | -4.1785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.813 |
| InChI Key: | PNCNGJWIMOJDBZ-UHFFFAOYSA-N |