2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4079 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C23 H18 N4 O5 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[N+]([O-])=O)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9456 |
| logD: | 2.9456 |
| logSw: | -3.4941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.874 |
| InChI Key: | NDMZETRGSUKXQI-NRFANRHFSA-N |