4-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
4-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Compound characteristics
Compound ID: | 5587-0103 |
Compound Name: | 4-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide |
Molecular Weight: | 478.57 |
Molecular Formula: | C25 H26 N4 O4 S |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(cc2)OC)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0349 |
logD: | 2.0338 |
logSw: | -2.5317 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 110.524 |
InChI Key: | NZUKSXFKPWDIMD-QFIPXVFZSA-N |