2-amino-4-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4331 |
| Compound Name: | 2-amino-4-(3,4-dimethoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C24 H22 N4 O5 |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.597 |
| logD: | 2.597 |
| logSw: | -2.9457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.019 |
| InChI Key: | IRUUGEXTSZNRQY-QFIPXVFZSA-N |