2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-4579 |
| Compound Name: | 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 566.03 |
| Molecular Formula: | C30 H27 Cl F3 N5 O |
| Smiles: | Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c(c1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(C)c(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9659 |
| logD: | 5.9659 |
| logSw: | -6.0513 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.766 |
| InChI Key: | SRGQFYCBOQHXKS-MHZLTWQESA-N |