ethyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9067 |
| Compound Name: | ethyl 2-amino-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 541.69 |
| Molecular Formula: | C27 H31 N3 O5 S2 |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)N(C=1N)c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3014 |
| logD: | 3.3004 |
| logSw: | -3.6243 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 106.677 |
| InChI Key: | LUKDFTDGOPTFLA-QFIPXVFZSA-N |