2-amino-1-(3-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4632 |
| Compound Name: | 2-amino-1-(3-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2cccc(c2)[N+]([O-])=O)c2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9465 |
| logD: | 2.9465 |
| logSw: | -3.4855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.758 |
| InChI Key: | ATHNKHRIOIAATR-FQEVSTJZSA-N |