1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0322 |
| Compound Name: | 1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 513.97 |
| Molecular Formula: | C26 H19 Cl F3 N3 O S |
| Smiles: | Cc1ccc(C2C(C#N)=C(N(C3CCCC(C2=3)=O)c2cc(ccc2[Cl])C(F)(F)F)n2cccc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4655 |
| logD: | 6.4655 |
| logSw: | -6.2862 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.271 |
| InChI Key: | ZJHSNFVUTUVFBK-HSZRJFAPSA-N |