methyl 3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0039 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)sulfamoyl]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C17 H13 N O6 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(Nc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5836 |
| logD: | 3.219 |
| logSw: | -3.8562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.924 |
| InChI Key: | HLXXJSLCZDUNRN-UHFFFAOYSA-N |