2-amino-5-oxo-1-[2-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-1-[2-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-5-oxo-1-[2-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-7115 |
| Compound Name: | 2-amino-5-oxo-1-[2-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C26 H24 F3 N3 O4 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccccc1C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7705 |
| logD: | 3.7705 |
| logSw: | -4.3284 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.054 |
| InChI Key: | ZAPKEVJVMDHBKV-QFIPXVFZSA-N |