2-amino-4-(3,4-dimethoxyphenyl)-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-dimethoxyphenyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8200 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H28 N4 O5 |
| Smiles: | Cc1ccc(cc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc(c(c1)OC)OC)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9181 |
| logD: | 3.9181 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.718 |
| InChI Key: | SSBRPIIBBIGPPB-DEOSSOPVSA-N |