4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0329 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 514.38 |
| Molecular Formula: | C27 H20 Br N3 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2ccc(cc2)[Br])n2cccc2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4594 |
| logD: | 5.4594 |
| logSw: | -5.7686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.669 |
| InChI Key: | VRIOSIQRYJFWDO-VWLOTQADSA-N |