3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Chemical Structure Depiction of
3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Compound characteristics
| Compound ID: | C142-0055 |
| Compound Name: | 3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C26 H28 F3 N O5 |
| Smiles: | CC1CC2=C(C(C(=C(C)N2)C(=O)OC2CCCC2)c2ccc(cc2)C(F)(F)F)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9587 |
| logD: | 1.1247 |
| logSw: | -4.6714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.443 |
| InChI Key: | XFSTXMVKJPURGL-UHFFFAOYSA-N |