methyl 3-{[2-(3,4-dimethoxyanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(3,4-dimethoxyanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
methyl 3-{[2-(3,4-dimethoxyanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0845 |
| Compound Name: | methyl 3-{[2-(3,4-dimethoxyanilino)-2-oxoethyl](methyl)sulfamoyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C21 H22 N2 O7 S2 |
| Smiles: | CN(CC(Nc1ccc(c(c1)OC)OC)=O)S(c1c2ccccc2sc1C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8231 |
| logD: | 2.8228 |
| logSw: | -3.4459 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.133 |
| InChI Key: | AHPUOTYMEQRITM-UHFFFAOYSA-N |