1-(5-bromopyridin-2-yl)-7,7-dimethyl-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-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-1444 |
| Compound Name: | 1-(5-bromopyridin-2-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.44 |
| Molecular Formula: | C25 H21 Br N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2c2ccc(cn2)[Br])n2cccc2)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.56 |
| logD: | 5.56 |
| logSw: | -5.2885 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.173 |
| InChI Key: | SICNYGCMODWBND-QFIPXVFZSA-N |