5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3855 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(3-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C26 H31 F N4 O6 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cccc(c1)F)NC(CC(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4594 |
| logD: | -0.0566 |
| logSw: | -4.3044 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.442 |
| InChI Key: | MDKPMLBHPZIOEL-INIZCTEOSA-N |