4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5587-0091 |
| Compound Name: | 4-[2-amino-3-cyano-4-(2,3-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]benzene-1-sulfonamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)S(N)(=O)=O)c2cccc(c2OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0879 |
| logD: | 2.0868 |
| logSw: | -2.6387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.327 |
| InChI Key: | PZHGVRVERWNHKI-QFIPXVFZSA-N |