ethyl {[9-fluoro-3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[9-fluoro-3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
ethyl {[9-fluoro-3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K263-0029 |
| Compound Name: | ethyl {[9-fluoro-3-(4-methylphenyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 428.5 |
| Molecular Formula: | C21 H17 F N2 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c3c(cccc3sc2C(N1c1ccc(C)cc1)=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8471 |
| logD: | 4.8471 |
| logSw: | -4.7881 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.085 |
| InChI Key: | XANJDECHAUMLDB-UHFFFAOYSA-N |