1-(2,5-dimethylphenyl)-4-methyl-5-{4-(2-methylpropanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-4-methyl-5-{4-(2-methylpropanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
1-(2,5-dimethylphenyl)-4-methyl-5-{4-(2-methylpropanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4531 |
| Compound Name: | 1-(2,5-dimethylphenyl)-4-methyl-5-{4-(2-methylpropanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C26 H32 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)S(NC(C)C)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4368 |
| logD: | -0.0792 |
| logSw: | -4.2905 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.888 |
| InChI Key: | VIAPHIBGLBMHPC-UHFFFAOYSA-N |