2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0503 |
| Compound Name: | 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(4-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1cc(C2C(C#N)=C(N)N(C3CC(CC(C2=3)=O)c2ccccc2)c2ccc(cc2)[N+]([O-])=O)c(C)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5829 |
| logD: | 5.5829 |
| logSw: | -5.4095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.505 |
| InChI Key: | PXPBCEADYHOYNE-UHFFFAOYSA-N |