2-[3-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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: | C258-0537 |
| Compound Name: | 2-[3-(3,4-dimethylphenyl)-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: | 541.59 |
| Molecular Formula: | C28 H26 F3 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(Nc2cccc(c2)C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1342 |
| logD: | 7.134 |
| logSw: | -5.6381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.508 |
| InChI Key: | YJJDCFZJPHCOCJ-UHFFFAOYSA-N |