2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8790 |
| Compound Name: | 2-amino-4-(4-bromothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 494.33 |
| Molecular Formula: | C21 H15 Br F3 N3 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)C(F)(F)F)c2cc(cs2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5769 |
| logD: | 4.5769 |
| logSw: | -4.6717 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.395 |
| InChI Key: | ZODNQRNZCCDKSB-SFHVURJKSA-N |