4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(3-methoxypropyl)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-(3-methoxypropyl)butanamide
4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(3-methoxypropyl)butanamide
Compound characteristics
| Compound ID: | C604-0092 |
| Compound Name: | 4-[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-(3-methoxypropyl)butanamide |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C26 H27 F N4 O4 S2 |
| Smiles: | COCCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7409 |
| logD: | 2.7408 |
| logSw: | -3.2038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.623 |
| InChI Key: | MCUPXVZLABOGRX-UHFFFAOYSA-N |