4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2188-1013 |
| Compound Name: | 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 507.45 |
| Molecular Formula: | C26 H23 Br N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N2)SCC(c2ccccc2)=O)c2ccc(cc2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4325 |
| logD: | 2.4506 |
| logSw: | -5.5459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.645 |
| InChI Key: | HYHKSQJRBXFCSN-HSZRJFAPSA-N |