5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-9386 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 586.66 |
| Molecular Formula: | C28 H34 N4 O8 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)Oc1c(C)c(C(O)=O)nn1C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1636 |
| logD: | 1.4506 |
| logSw: | -4.1361 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 132.812 |
| InChI Key: | HSBGXRSQXGDKJZ-INIZCTEOSA-N |