4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxy-2-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-(4-methoxy-2-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-(4-methoxy-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2182 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxy-2-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 510.51 |
| Molecular Formula: | C28 H22 N4 O6 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7783 |
| logD: | 4.7783 |
| logSw: | -4.6538 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 93.993 |
| InChI Key: | ZGDQDFUWFVRYMZ-SANMLTNESA-N |