1-(2,4-dimethylphenyl)-5-{2-[(3-methoxypropyl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-(2,4-dimethylphenyl)-5-{2-[(3-methoxypropyl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
1-(2,4-dimethylphenyl)-5-{2-[(3-methoxypropyl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-3555 |
| Compound Name: | 1-(2,4-dimethylphenyl)-5-{2-[(3-methoxypropyl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 572.68 |
| Molecular Formula: | C28 H36 N4 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(c1)S(NCCCOC)(=O)=O)Oc1c(C)c(C(O)=O)nn1c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8134 |
| logD: | 0.2974 |
| logSw: | -4.4101 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.671 |
| InChI Key: | FQCJPKUNJDHIFI-UHFFFAOYSA-N |