2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0969 |
| Compound Name: | 2-amino-4-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 522.56 |
| Molecular Formula: | C30 H26 N4 O5 |
| Smiles: | COc1ccc(cc1COc1ccc(cc1)[N+]([O-])=O)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.247 |
| logD: | 4.247 |
| logSw: | -4.5731 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.616 |
| InChI Key: | FHMIUHRJIUEXLA-MUUNZHRXSA-N |