1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0300 |
| Compound Name: | 1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 499.94 |
| Molecular Formula: | C25 H17 Cl F3 N3 O S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2cc(ccc2[Cl])C(F)(F)F)n2cccc2)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8355 |
| logD: | 5.8355 |
| logSw: | -6.2679 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.271 |
| InChI Key: | MICTWXWCGSEBLU-QFIPXVFZSA-N |