4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Chemical Structure Depiction of
4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | C604-0065 |
| Compound Name: | 4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C25 H24 F N3 O4 S2 |
| Smiles: | COCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9175 |
| logD: | 2.9175 |
| logSw: | -3.4805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.418 |
| InChI Key: | DSJSXQJLCDBQFU-UHFFFAOYSA-N |