2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7764 |
| Compound Name: | 2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 484.54 |
| Molecular Formula: | C26 H23 F3 N2 O2 S |
| Smiles: | C1CCc2c(C#N)c(N3C4CCCC(C=4C(CC3=O)c3ccccc3C(F)(F)F)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4708 |
| logD: | 5.4708 |
| logSw: | -5.6472 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.963 |
| InChI Key: | QCTZYMXHZBVSGB-QGZVFWFLSA-N |