4-{2-amino-3-cyano-7,7-dimethyl-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-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide
4-{2-amino-3-cyano-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8009-9062 |
| Compound Name: | 4-{2-amino-3-cyano-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl}benzene-1-sulfonamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(cc2)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7718 |
| logD: | 2.7707 |
| logSw: | -3.3178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.98 |
| InChI Key: | UDVPYKJZOLAYSD-QFIPXVFZSA-N |