1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2174 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C26 H21 Cl F N3 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2c2ccc(c(c2)[Cl])F)n2cccc2)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5976 |
| logD: | 5.5976 |
| logSw: | -5.9307 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.572 |
| InChI Key: | UHIZZOSSHWMFHT-HSZRJFAPSA-N |