2-amino-1-(4-chloro-2-nitrophenyl)-4-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-chloro-2-nitrophenyl)-4-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-chloro-2-nitrophenyl)-4-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6561 |
| Compound Name: | 2-amino-1-(4-chloro-2-nitrophenyl)-4-{3-[(2,3-dimethylphenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 585.06 |
| Molecular Formula: | C32 H29 Cl N4 O5 |
| Smiles: | Cc1cccc(c1C)OCc1cc(ccc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7424 |
| logD: | 5.7424 |
| logSw: | -6.0423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.101 |
| InChI Key: | WPSGIVLRAVRQLL-PMERELPUSA-N |