4-(2H-1,3-benzodioxol-5-yl)-1-(2-methyl-5-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-(2-methyl-5-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-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2183 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C28 H22 N4 O5 |
| Smiles: | Cc1ccc(cc1N1C2CCCC(C=2C(C(C#N)=C1n1cccc1)c1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1969 |
| logD: | 5.1969 |
| logSw: | -5.1077 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 86.75 |
| InChI Key: | NANUHJWZSHDKDJ-SANMLTNESA-N |