9-fluoro-3-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
9-fluoro-3-[(4-methoxyphenyl)methyl]-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K263-0027 |
| Compound Name: | 9-fluoro-3-[(4-methoxyphenyl)methyl]-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 483.58 |
| Molecular Formula: | C24 H22 F N3 O3 S2 |
| Smiles: | COc1ccc(CN2C(=Nc3c4c(cccc4sc3C2=O)F)SCC(N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7146 |
| logD: | 4.7146 |
| logSw: | -4.5496 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.568 |
| InChI Key: | OBXZLHSHBBMKHH-UHFFFAOYSA-N |