2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-5586 |
| Compound Name: | 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C23 H19 N3 O3 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccccc2)N1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3048 |
| logD: | 1.2109 |
| logSw: | -4.4212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.087 |
| InChI Key: | RMTCWOPWKFTMDI-UHFFFAOYSA-N |