N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8010-4347 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 528.85 |
| Molecular Formula: | C24 H19 Br Cl N3 O2 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N2)SCC(Nc2ccc(cc2)[Br])=O)c2ccccc2[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6164 |
| logD: | 3.0409 |
| logSw: | -5.9174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.547 |
| InChI Key: | UVWMPYBNXRVCEL-QFIPXVFZSA-N |