4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Chemical Structure Depiction of
4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Compound characteristics
| Compound ID: | C604-0123 |
| Compound Name: | 4-[2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C28 H31 F N4 O4 S2 |
| Smiles: | CC(C)OCCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4638 |
| logD: | 3.4637 |
| logSw: | -3.8444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.179 |
| InChI Key: | DEEUVKISVPOZNT-UHFFFAOYSA-N |