5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-7786 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-(tert-butylsulfamoyl)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 544.58 |
| Molecular Formula: | C25 H28 N4 O8 S |
| Salt: | not_available |
| Smiles: | CCn1c(c(C)c(C(O)=O)n1)Oc1ccc(cc1S(NC(C)(C)C)(=O)=O)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9651 |
| logD: | 0.2521 |
| logSw: | -3.4556 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 130.742 |
| InChI Key: | REUVXZYWIUNEHV-UHFFFAOYSA-N |