5-[2-(tert-butylsulfamoyl)-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(tert-butylsulfamoyl)-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
5-[2-(tert-butylsulfamoyl)-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3796 |
| Compound Name: | 5-[2-(tert-butylsulfamoyl)-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C27 H34 N4 O6 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c2ccccc2)c1Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5044 |
| logD: | -0.0115 |
| logSw: | -4.3549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.825 |
| InChI Key: | OFLKSMWCYFPKKT-UHFFFAOYSA-N |