2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-0535 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(2-cyanophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C24 H18 N4 O3 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)N2c2ccccc2C#N)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7714 |
| logD: | 2.7714 |
| logSw: | -3.5847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.248 |
| InChI Key: | CDNYZNDNNYEDBD-JOCHJYFZSA-N |