2-[3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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: | C258-0299 |
| Compound Name: | 2-[3-(3-methoxyphenyl)-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: | 529.54 |
| Molecular Formula: | C26 H22 F3 N3 O4 S |
| Smiles: | COc1cccc(c1)N1C(c2c3CCCCc3sc2N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6697 |
| logD: | 5.6694 |
| logSw: | -5.5067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.721 |
| InChI Key: | QNSRLIDXQRHGRH-UHFFFAOYSA-N |