5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclopropanecarbonyl)amino]phenoxy)-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclopropanecarbonyl)amino]phenoxy)-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclopropanecarbonyl)amino]phenoxy)-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V008-1803 |
| Compound Name: | 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclopropanecarbonyl)amino]phenoxy)-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 570.62 |
| Molecular Formula: | C27 H30 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(C1CC1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.6186 |
| logD: | 0.9056 |
| logSw: | -3.9097 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 133.063 |
| InChI Key: | SYESBWRFOTXIOH-UHFFFAOYSA-N |