2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C258-0504 |
| Compound Name: | 2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C27 H24 F3 N3 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCCCc3sc2N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4365 |
| logD: | 6.4362 |
| logSw: | -5.7086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | WWMKYNCPJHISRI-UHFFFAOYSA-N |