5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1774 |
| Compound Name: | 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 648.57 |
| Molecular Formula: | C28 H23 F3 N4 O9 S |
| Salt: | not_available |
| Smiles: | Cn1c(cc(C(O)=O)n1)Oc1ccc(cc1S(NCc1ccc2c(c1)OCO2)(=O)=O)NC(c1ccc(c(c1)C(F)(F)F)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7614 |
| logD: | 1.0255 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 138.992 |
| InChI Key: | FDRGKTLJBILWIM-UHFFFAOYSA-N |