5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4574 |
| Compound Name: | 5-[2-(tert-butylsulfamoyl)-4-(3-methylbutanamido)phenoxy]-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 558.65 |
| Molecular Formula: | C27 H34 N4 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NC(C)(C)C)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1746 |
| logD: | -0.3414 |
| logSw: | -4.314 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.369 |
| InChI Key: | HPQSPVJCFOFEBL-UHFFFAOYSA-N |