2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K698-0431 |
| Compound Name: | 2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 513.54 |
| Molecular Formula: | C26 H22 F3 N3 O3 S |
| Smiles: | COc1cccc(c1)C1=Nc2c(C(N1CC(Nc1cccc(c1)C(F)(F)F)=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.0383 |
| logD: | 6.038 |
| logSw: | -5.5466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.866 |
| InChI Key: | FXUXGIOKFQSTBZ-UHFFFAOYSA-N |