3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4,5-dimethoxyphenyl)prop-2-enoic acid
Chemical Structure Depiction of
3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4,5-dimethoxyphenyl)prop-2-enoic acid
3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4,5-dimethoxyphenyl)prop-2-enoic acid
Compound characteristics
| Compound ID: | 3343-3290 |
| Compound Name: | 3-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4,5-dimethoxyphenyl)prop-2-enoic acid |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C19 H19 N O8 S |
| Smiles: | COc1cc(/C=C/C(O)=O)cc(c1OC)S(NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6135 |
| logD: | -0.5772 |
| logSw: | -3.0028 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.843 |
| InChI Key: | LRNREMGFJGZAAJ-UHFFFAOYSA-N |