1-(4-fluorophenyl)-4-methyl-5-{4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-methyl-5-{4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
1-(4-fluorophenyl)-4-methyl-5-{4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-1787 |
| Compound Name: | 1-(4-fluorophenyl)-4-methyl-5-{4-(3-methylbutanamido)-2-[(2-methylpropyl)sulfamoyl]phenoxy}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C26 H31 F N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCC(C)C)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5928 |
| logD: | 0.0768 |
| logSw: | -4.3966 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.788 |
| InChI Key: | TXHINUMORNUUPV-UHFFFAOYSA-N |