5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1768 |
| Compound Name: | 5-[2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-methylbutanamido)phenoxy]-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 624.65 |
| Molecular Formula: | C30 H29 F N4 O8 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCc1ccc2c(c1)OCO2)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8569 |
| logD: | 0.3409 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.632 |
| InChI Key: | JMTSNOTZUTZKNE-UHFFFAOYSA-N |