5-[4-(3,3-dimethylbutanamido)-2-(propylsulfamoyl)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[4-(3,3-dimethylbutanamido)-2-(propylsulfamoyl)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
5-[4-(3,3-dimethylbutanamido)-2-(propylsulfamoyl)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3613 |
| Compound Name: | 5-[4-(3,3-dimethylbutanamido)-2-(propylsulfamoyl)phenoxy]-1,4-dimethyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C21 H30 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCCNS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1C)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8739 |
| logD: | 0.1609 |
| logSw: | -3.4185 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.051 |
| InChI Key: | PLABNDXPZZGXBD-UHFFFAOYSA-N |