3-(3,3-diethoxypropyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
3-(3,3-diethoxypropyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0729 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 500.61 |
| Molecular Formula: | C25 H25 F N2 O4 S2 |
| Smiles: | CCOC(CCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)F)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6908 |
| logD: | 4.6908 |
| logSw: | -4.4761 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.417 |
| InChI Key: | KOHAMYDXNADVGW-UHFFFAOYSA-N |