4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2677-4287 |
| Compound Name: | 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 497.77 |
| Molecular Formula: | C24 H18 Br Cl N2 O3 |
| Smiles: | CC1=C(C#N)C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])N1)c1cc2c(cc1[Br])OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5812 |
| logD: | 2.6504 |
| logSw: | -6.1789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.821 |
| InChI Key: | OWXPKWRWIKFOSM-UHFFFAOYSA-N |