4-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide
4-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8009-9061 |
| Compound Name: | 4-{2-amino-3-cyano-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1468 |
| logD: | 2.1457 |
| logSw: | -2.6088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.98 |
| InChI Key: | MLNFYKDANKCUGS-NRFANRHFSA-N |