2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4634 |
| Compound Name: | 2-amino-7,7-dimethyl-1-(3-methylphenyl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C25 H24 N4 O3 |
| Smiles: | Cc1cccc(c1)N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0549 |
| logD: | 4.0549 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.758 |
| InChI Key: | LMBMGMGNDCYJLW-JOCHJYFZSA-N |