5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-methyl-1H-pyrazole-3-carboxylic acid
5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-3606 |
| Compound Name: | 5-{4-(3,3-dimethylbutanamido)-2-[(propan-2-yl)sulfamoyl]phenoxy}-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C20 H28 N4 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)NS(c1cc(ccc1Oc1cc(C(O)=O)nn1C)NC(CC(C)(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4051 |
| logD: | -0.3308 |
| logSw: | -2.9921 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.764 |
| InChI Key: | KMHWDBXUBNRCJL-UHFFFAOYSA-N |