2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6680 |
| Compound Name: | 2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(2-nitrophenyl)-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[Cl])OCc1cc(ccc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6501 |
| logD: | 5.6501 |
| logSw: | -5.9714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.015 |
| InChI Key: | KNKVXCZDGRTDTM-GDLZYMKVSA-N |