1-tert-butyl-5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-tert-butyl-5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-tert-butyl-5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2568 |
| Compound Name: | 1-tert-butyl-5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C24 H36 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1C(C)(C)C)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8173 |
| logD: | 1.1044 |
| logSw: | -4.0845 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.942 |
| InChI Key: | JJHFSLHSSLAQOA-UHFFFAOYSA-N |