2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0029 |
| Compound Name: | 2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 348.28 |
| Molecular Formula: | C17 H11 F3 N2 O3 |
| Smiles: | C1CC2=C(C=C(C#N)C(N2c2ccc(cc2)OC(F)(F)F)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8332 |
| logD: | 2.8332 |
| logSw: | -3.5338 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.573 |
| InChI Key: | KGDRIGDPBSPNJG-UHFFFAOYSA-N |