5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-fluorobenzamido)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-(4-fluorobenzamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-fluorobenzamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1656 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(4-fluorobenzamido)phenoxy]-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 658.66 |
| Molecular Formula: | C33 H27 F 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(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4407 |
| logD: | 0.9247 |
| logSw: | -5.3374 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.574 |
| InChI Key: | NNZSVWDHDQZJEQ-UHFFFAOYSA-N |