methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2546 |
| Compound Name: | methyl 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-(4-sulfamoylphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C26 H27 N3 O7 S |
| Smiles: | CC1(C)CC2=C(C(C(=C(N)N2c2ccc(cc2)S(N)(=O)=O)C(=O)OC)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0946 |
| logD: | 2.0935 |
| logSw: | -2.8556 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.213 |
| InChI Key: | OFHWVTKRTPNHHP-NRFANRHFSA-N |