5-{2-[(butan-2-yl)sulfamoyl]-4-(3,3-dimethylbutanamido)phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-(3,3-dimethylbutanamido)phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{2-[(butan-2-yl)sulfamoyl]-4-(3,3-dimethylbutanamido)phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-9627 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-(3,3-dimethylbutanamido)phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 560.64 |
| Molecular Formula: | C27 H33 F N4 O6 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)F)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8518 |
| logD: | 0.3358 |
| logSw: | -4.5234 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.442 |
| InChI Key: | VQOYUKAMBMHGPA-INIZCTEOSA-N |