5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1,4-dimethyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V007-3450 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1,4-dimethyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 530.56 |
| Molecular Formula: | C24 H26 N4 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(C)c1Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4263 |
| logD: | -0.2866 |
| logSw: | -3.0311 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.304 |
| InChI Key: | ZJZBLKYAMDWTSJ-UHFFFAOYSA-N |