5-{2-[(butan-2-yl)sulfamoyl]-4-[(cyclobutanecarbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-[(cyclobutanecarbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-{2-[(butan-2-yl)sulfamoyl]-4-[(cyclobutanecarbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1632 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-[(cyclobutanecarbonyl)amino]phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1)NC(C1CCC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6471 |
| logD: | -0.8689 |
| logSw: | -3.8207 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.908 |
| InChI Key: | IZDJDCWOGTWSLF-KRWDZBQOSA-N |