5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1808 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(cyclopropylsulfamoyl)phenoxy}-4-methyl-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 590.61 |
| Molecular Formula: | C29 H26 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NC1CC1)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2531 |
| logD: | -0.2629 |
| logSw: | -4.2774 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.843 |
| InChI Key: | FYXMBLJSSBAQSD-UHFFFAOYSA-N |