methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate
methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | G226-0488 |
| Compound Name: | methyl 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C18 H15 N O6 S2 |
| Smiles: | COC(c1c(c2ccccc2s1)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4112 |
| logD: | 3.4106 |
| logSw: | -3.8235 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.033 |
| InChI Key: | JITUOXGZHNXFHM-UHFFFAOYSA-N |