9-fluoro-3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
9-fluoro-3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
9-fluoro-3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0022 |
| Compound Name: | 9-fluoro-3-(4-methylphenyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H20 F N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c3c(cccc3sc2C1=O)F)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6799 |
| logD: | 4.6799 |
| logSw: | -4.5743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.413 |
| InChI Key: | GMCJDJZIMYNJKU-UHFFFAOYSA-N |