1-tert-butyl-5-{4-(4-fluoro-3-methylbenzamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-5-{4-(4-fluoro-3-methylbenzamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-tert-butyl-5-{4-(4-fluoro-3-methylbenzamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V007-0153 |
| Compound Name: | 1-tert-butyl-5-{4-(4-fluoro-3-methylbenzamido)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 562.62 |
| Molecular Formula: | C26 H31 F N4 O7 S |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1F)C(Nc1ccc(c(c1)S(NCCOC)(=O)=O)Oc1c(C)c(C(O)=O)nn1C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4038 |
| logD: | 0.6908 |
| logSw: | -3.9384 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.88 |
| InChI Key: | RXHPJESPZYBEST-UHFFFAOYSA-N |