ethyl 1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | K305-0491 |
| Compound Name: | ethyl 1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 557.59 |
| Molecular Formula: | C28 H26 F3 N3 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(Cc4cc(C)ccc4C)c3sc2C1)=O)c1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5391 |
| logD: | 6.5391 |
| logSw: | -5.7861 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.44 |
| InChI Key: | QWTANAXAZPIVOA-UHFFFAOYSA-N |