2-amino-1-(3-nitrophenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-nitrophenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-nitrophenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-9922 |
| Compound Name: | 2-amino-1-(3-nitrophenyl)-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 454.41 |
| Molecular Formula: | C23 H17 F3 N4 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2ccccc2C(F)(F)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9644 |
| logD: | 3.9644 |
| logSw: | -4.5347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.758 |
| InChI Key: | YPTNYPPRBRAMPD-HXUWFJFHSA-N |