1-(5-bromopyridin-2-yl)-7,7-dimethyl-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-(5-bromopyridin-2-yl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(5-bromopyridin-2-yl)-7,7-dimethyl-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: | 8017-5238 |
| Compound Name: | 1-(5-bromopyridin-2-yl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 519.46 |
| Molecular Formula: | C26 H23 Br N4 O S |
| Smiles: | Cc1ccc(C2C(C#N)=C(N(C3CC(C)(C)CC(C2=3)=O)c2ccc(cn2)[Br])n2cccc2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1901 |
| logD: | 6.1901 |
| logSw: | -5.3848 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.173 |
| InChI Key: | UJJPCECTSGSJCM-HSZRJFAPSA-N |