2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-7508 |
| Compound Name: | 2-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 523.94 |
| Molecular Formula: | C27 H21 Cl F3 N5 O |
| Smiles: | Cc1c(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccccc2C(F)(F)F)c(n(c2ccccc2)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4611 |
| logD: | 4.4611 |
| logSw: | -4.7503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.876 |
| InChI Key: | DDCLNANMVKBINQ-QHCPKHFHSA-N |