5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3595 |
| Compound Name: | 5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C20 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NC(C)(C)C)(=O)=O)Oc1cc(C(O)=O)nn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2275 |
| logD: | -0.5084 |
| logSw: | -3.0702 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.613 |
| InChI Key: | DYZJAWVEAJNYKA-UHFFFAOYSA-N |