1-(2,3-dimethylphenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,3-dimethylphenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V028-1612 |
| Compound Name: | 1-(2,3-dimethylphenyl)-5-{2-[(2-methoxyethyl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C26 H32 N4 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)C(Nc1ccc(c(c1)S(NCCOC)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.735 |
| logD: | -0.781 |
| logSw: | -4.0182 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.884 |
| InChI Key: | VDWBMVDYVYAZIR-UHFFFAOYSA-N |