5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1680 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3,3-dimethylbutanamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 634.71 |
| Molecular Formula: | C32 H34 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6436 |
| logD: | 1.1277 |
| logSw: | -5.3474 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.632 |
| InChI Key: | KFVOGVMYPISCJT-UHFFFAOYSA-N |