2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | 8013-5670 |
| Compound Name: | 2-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(2,4-difluorophenyl)acetamide |
| Molecular Weight: | 559.59 |
| Molecular Formula: | C26 H27 F2 N5 O5 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCC(Nc2ccc(cc2F)F)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8413 |
| logD: | 3.8335 |
| logSw: | -3.8431 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.887 |
| InChI Key: | CNJKABHNANGSEK-UHFFFAOYSA-N |