5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)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-ethylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V008-1839 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-ethylbutanamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 600.69 |
| Molecular Formula: | C29 H36 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)nn1C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4242 |
| logD: | 1.7112 |
| logSw: | -4.2396 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 132.812 |
| InChI Key: | AKRZVXQLNNLVFG-UHFFFAOYSA-N |