5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2282 |
| Compound Name: | 5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C27 H34 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7932 |
| logD: | 0.2773 |
| logSw: | -4.4512 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.975 |
| InChI Key: | NVHVXVILJQJFPY-UHFFFAOYSA-N |