2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4404-0358 |
| Compound Name: | 2-amino-4-(3-nitrophenyl)-5-oxo-7-phenyl-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C24 H19 N7 O3 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)N(C1=2)c1nc[nH]n1)c1cccc(c1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6154 |
| logD: | 2.6154 |
| logSw: | -3.0173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.117 |
| InChI Key: | KJXLYNSUUQJTMM-UHFFFAOYSA-N |