1-(2,3-dimethylphenyl)-5-{4-(2-ethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5-{4-(2-ethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-5-{4-(2-ethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
Compound ID: | V027-2268 |
Compound Name: | 1-(2,3-dimethylphenyl)-5-{4-(2-ethylbutanamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
Molecular Weight: | 572.68 |
Molecular Formula: | C28 H36 N4 O7 S |
Salt: | not_available |
Smiles: | CCC(CC)C(Nc1ccc(c(c1)S(NCCOC)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(C)c1C)=O |
Stereo: | ACHIRAL |
logP: | 4.3832 |
logD: | -0.1327 |
logSw: | -4.2311 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 122.884 |
InChI Key: | PDJOHHMFNHNNMH-UHFFFAOYSA-N |