2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0964 |
| Compound Name: | 2-amino-4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 599.09 |
| Molecular Formula: | C33 H31 Cl N4 O5 |
| Smiles: | Cc1ccc(cc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(c(COc2ccc(cc2)[Cl])c1)OC)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.234 |
| logD: | 6.234 |
| logSw: | -6.3248 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.315 |
| InChI Key: | ZGSUWEREUMYBPA-SSEXGKCCSA-N |