5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V025-8821 |
| Compound Name: | 5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-(4-fluorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C26 H31 F N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)F)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3989 |
| logD: | -0.1171 |
| logSw: | -4.3747 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.975 |
| InChI Key: | AOVKFMPOPYYADL-UHFFFAOYSA-N |