7,7-dimethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0081 |
| Compound Name: | 7,7-dimethyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 360.33 |
| Molecular Formula: | C19 H15 F3 N2 O2 |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2c2cccc(c2)C(F)(F)F)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1235 |
| logD: | 3.1235 |
| logSw: | -3.3109 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | STENQTBSRPQHFT-UHFFFAOYSA-N |