2-amino-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-7114 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 527.54 |
| Molecular Formula: | C28 H28 F3 N3 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)C(F)(F)F)c2cc(c(c(c2)OC)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3475 |
| logD: | 4.3475 |
| logSw: | -4.7089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.355 |
| InChI Key: | DFELELAHSPMMEV-QHCPKHFHSA-N |