4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1454 |
| Compound Name: | 4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C26 H20 F3 N3 O S |
| Smiles: | Cc1ccsc1C1C(C#N)=C(N(C2CCCC(C1=2)=O)c1ccccc1C(F)(F)F)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8517 |
| logD: | 5.8517 |
| logSw: | -5.4945 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.271 |
| InChI Key: | OANSLQIMGGQBJH-JOCHJYFZSA-N |