4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide
Chemical Structure Depiction of
4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide
4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide
Compound characteristics
| Compound ID: | C604-0002 |
| Compound Name: | 4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(2-hydroxyethyl)butanamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C24 H23 F N4 O4 S2 |
| Smiles: | C(CC(NCCO)=O)CN1C(=Nc2c3ccccc3sc2C1=O)SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.836 |
| logD: | 1.8359 |
| logSw: | -2.3236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.936 |
| InChI Key: | PEBPJEGNSXLAEA-UHFFFAOYSA-N |