2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-4240 |
| Compound Name: | 2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C26 H17 F4 N3 O3 S |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)N1C(N(Cc2ccc(cc2)F)C(c2c1c1ccccc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7494 |
| logD: | 5.7494 |
| logSw: | -5.9882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.622 |
| InChI Key: | CZRIIXMHEYENNO-UHFFFAOYSA-N |