2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-4862 |
| Compound Name: | 2-amino-1-(3-bromophenyl)-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 462.39 |
| Molecular Formula: | C25 H24 Br N3 O |
| Smiles: | Cc1ccccc1C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0852 |
| logD: | 5.0852 |
| logSw: | -5.0311 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.377 |
| InChI Key: | ISRRDLLZOBAWGX-QFIPXVFZSA-N |