5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3583 |
| Compound Name: | 5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 506.96 |
| Molecular Formula: | C22 H23 Cl N4 O6 S |
| Smiles: | CC(C)(C)NS(c1cc(ccc1Oc1cc(C(O)=O)nn1C)NC(c1ccccc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8844 |
| logD: | 0.1485 |
| logSw: | -3.7103 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.555 |
| InChI Key: | CIGQXDLAHGSWFV-UHFFFAOYSA-N |