2-amino-1-(2-chlorophenyl)-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chlorophenyl)-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chlorophenyl)-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0495 |
| Compound Name: | 2-amino-1-(2-chlorophenyl)-4-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 571.03 |
| Molecular Formula: | C31 H27 Cl N4 O5 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCc1cc(ccc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4001 |
| logD: | 5.4001 |
| logSw: | -5.9313 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.015 |
| InChI Key: | MIHNYOPNGXITQH-LJAQVGFWSA-N |