5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V027-2339 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-(3-methylbutanamido)phenoxy}-1-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 558.65 |
| Molecular Formula: | C27 H34 N4 O7 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1c1ccc(cc1)OC)NC(CC(C)C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3713 |
| logD: | -0.1447 |
| logSw: | -4.2874 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.986 |
| InChI Key: | YBPADUUFMMGQEA-KRWDZBQOSA-N |