5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(thiophene-2-carbonyl)amino]phenoxy)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(thiophene-2-carbonyl)amino]phenoxy)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(thiophene-2-carbonyl)amino]phenoxy)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V003-9844 |
| Compound Name: | 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(thiophene-2-carbonyl)amino]phenoxy)-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 660.72 |
| Molecular Formula: | C32 H28 N4 O8 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(c1)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8595 |
| logD: | 1.3435 |
| logSw: | -5.4008 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 132.291 |
| InChI Key: | SGAJEPVBIVOOOK-UHFFFAOYSA-N |