5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V007-0130 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxole-5-carbonyl)amino]-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-1-tert-butyl-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 574.61 |
| Molecular Formula: | C26 H30 N4 O9 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(O)=O)nn(c1Oc1ccc(cc1S(NCCOC)(=O)=O)NC(c1ccc2c(c1)OCO2)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.8699 |
| logD: | 0.1569 |
| logSw: | -3.478 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.996 |
| InChI Key: | GHPIYGAWTDRSFO-UHFFFAOYSA-N |