2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0967 |
| Compound Name: | 2-amino-1-(2-chloro-4-nitrophenyl)-4-{3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 613.11 |
| Molecular Formula: | C34 H33 Cl N4 O5 |
| Smiles: | Cc1cccc(C)c1OCc1cc(ccc1OC)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5595 |
| logD: | 6.5595 |
| logSw: | -6.3196 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.489 |
| InChI Key: | DSMKLUBXEJADJU-PMERELPUSA-N |