5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2281 |
| Compound Name: | 5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C25 H18 F3 N3 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccccc2C(F)(F)F)n2cccc2)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2824 |
| logD: | 5.2824 |
| logSw: | -5.5396 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.271 |
| InChI Key: | ATCAGQRYIVEIBI-QFIPXVFZSA-N |