4-(2H-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-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-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-0341 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 480.48 |
| Molecular Formula: | C27 H20 N4 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2c2cccc(c2)[N+]([O-])=O)n2cccc2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5007 |
| logD: | 4.5007 |
| logSw: | -4.5561 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.051 |
| InChI Key: | FSXDBZUFYYZINV-VWLOTQADSA-N |