2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C258-0581 |
| Compound Name: | 2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 557.59 |
| Molecular Formula: | C28 H26 F3 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3707 |
| logD: | 6.3704 |
| logSw: | -5.5037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.632 |
| InChI Key: | WUFCFUNWBLCUDO-UHFFFAOYSA-N |