1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7503 |
| Compound Name: | 1-(4-methyl-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 518.49 |
| Molecular Formula: | C28 H21 F3 N4 O3 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8619 |
| logD: | 5.8619 |
| logSw: | -5.582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.333 |
| InChI Key: | XFYUCPBAUGFHDM-RUZDIDTESA-N |