2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-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-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-9726 |
| Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(4-bromo-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 506.4 |
| Molecular Formula: | C26 H24 Br N3 O3 |
| Smiles: | Cc1cc(ccc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1238 |
| logD: | 5.1238 |
| logSw: | -5.1875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.191 |
| InChI Key: | GFZIMCWMXUYCFU-QHCPKHFHSA-N |