1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1486 |
| Compound Name: | 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.46 |
| Molecular Formula: | C26 H18 F3 N5 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccc(cc2[N+]([O-])=O)C(F)(F)F)n2cccc2)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2685 |
| logD: | 4.2685 |
| logSw: | -4.3471 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.851 |
| InChI Key: | AOCWTSWENFSRJF-QHCPKHFHSA-N |