5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclobutanecarbonyl)amino]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclobutanecarbonyl)amino]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclobutanecarbonyl)amino]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V004-9889 |
| Compound Name: | 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[(cyclobutanecarbonyl)amino]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 528.54 |
| Molecular Formula: | C24 H24 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cn1c(cc(C(O)=O)n1)Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6565 |
| logD: | -1.0794 |
| logSw: | -2.6162 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.885 |
| InChI Key: | OIRFNXOXGAPYHI-UHFFFAOYSA-N |