4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8009-2430 |
Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 384.43 |
Molecular Formula: | C24 H20 N2 O3 |
Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccccc2)N1)c1ccc2c(c1)OCO2 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3932 |
logD: | 1.2994 |
logSw: | -4.3525 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.821 |
InChI Key: | XPVFQOZKSYKSEA-UHFFFAOYSA-N |