2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K263-0400 |
| Compound Name: | 2-({3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 549.64 |
| Molecular Formula: | C28 H24 F N3 O4 S2 |
| Smiles: | COc1ccc(CCN2C(=Nc3c4ccccc4sc3C2=O)SCC(Nc2ccc(cc2)F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.183 |
| logD: | 5.1829 |
| logSw: | -5.2799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.654 |
| InChI Key: | OXICBRFPOABFMQ-UHFFFAOYSA-N |