1-(2,5-dimethylphenyl)-5-{4-(3-fluorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-5-{4-(3-fluorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,5-dimethylphenyl)-5-{4-(3-fluorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V029-4590 |
| Compound Name: | 1-(2,5-dimethylphenyl)-5-{4-(3-fluorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C29 H29 F N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1cc(C)ccc1C)NC(c1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2193 |
| logD: | 0.7033 |
| logSw: | -4.9507 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.616 |
| InChI Key: | VKAOHJVUQRZSBX-UHFFFAOYSA-N |