5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3812 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 634.71 |
| Molecular Formula: | C32 H34 N4 O8 S |
| Salt: | not_available |
| Smiles: | CCC(CC)C(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4001 |
| logD: | 0.8841 |
| logSw: | -5.2419 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.845 |
| InChI Key: | XAQGYOFVPYPDPY-UHFFFAOYSA-N |