2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
Compound ID: | K263-0728 |
Compound Name: | 2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
Molecular Weight: | 515.63 |
Molecular Formula: | C25 H26 F N3 O4 S2 |
Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(Nc1ccc(cc1)F)=O)OCC |
Stereo: | ACHIRAL |
logP: | 4.5636 |
logD: | 4.5636 |
logSw: | -4.1663 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.319 |
InChI Key: | FFXUPWBEAMNANC-UHFFFAOYSA-N |