5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylpropanamido)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-(2-methylpropanamido)phenoxy]-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylpropanamido)phenoxy]-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V003-9832 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(2-methylpropanamido)phenoxy]-1-(2,5-dimethylphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 620.68 |
| Molecular Formula: | C31 H32 N4 O8 S |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2872 |
| logD: | 0.7712 |
| logSw: | -5.1988 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.544 |
| InChI Key: | YJYZTBRGQPBHCD-UHFFFAOYSA-N |