1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2175 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(3-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 492.01 |
| Molecular Formula: | C27 H23 Cl F N3 O S |
| Smiles: | Cc1ccsc1C1C(C#N)=C(N(C2CC(C)(C)CC(C1=2)=O)c1ccc(c(c1)[Cl])F)n1cccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1668 |
| logD: | 6.1668 |
| logSw: | -6.1582 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 37.572 |
| InChI Key: | ZUNROGVBRYQMAQ-QHCPKHFHSA-N |