2-amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-4581 |
| Compound Name: | 2-amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 563.6 |
| Molecular Formula: | C31 H29 F4 N5 O |
| Smiles: | Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c(c1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3651 |
| logD: | 5.3651 |
| logSw: | -5.3583 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.766 |
| InChI Key: | OZPRFYNVQNQCBH-MHZLTWQESA-N |