2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[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}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-7106 |
| Compound Name: | 2-{2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C27 H25 F3 N2 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(N1C3CCCC(C=3C(CC1=O)c1ccccc1C(F)(F)F)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9668 |
| logD: | 5.9668 |
| logSw: | -5.7926 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.963 |
| InChI Key: | XSWHZOGSWBFSSF-GOSISDBHSA-N |