5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-methoxybenzamido)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-(4-methoxybenzamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-methoxybenzamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-9362 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-methoxybenzamido)phenoxy]-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 636.68 |
| Molecular Formula: | C31 H32 N4 O9 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(c1ccc(cc1)OC)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4181 |
| logD: | 1.7051 |
| logSw: | -4.3402 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.084 |
| InChI Key: | DDXHPPYJRUAYLR-UHFFFAOYSA-N |