4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2648-4209 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C25 H22 N2 O4 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccc(cc2)OC)N1)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3713 |
| logD: | 1.2774 |
| logSw: | -4.3902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.365 |
| InChI Key: | QUAPJVSHCMBROG-UHFFFAOYSA-N |