5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1750 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 564.57 |
| Molecular Formula: | C27 H24 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1C(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)Oc1cc(C(O)=O)nn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2425 |
| logD: | 0.5066 |
| logSw: | -3.6951 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.362 |
| InChI Key: | HEWPNFFWPBFCKH-UHFFFAOYSA-N |