5-{2-[(butan-2-yl)sulfamoyl]-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy}-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
5-{2-[(butan-2-yl)sulfamoyl]-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy}-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
5-{2-[(butan-2-yl)sulfamoyl]-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy}-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | V030-0049 |
| Compound Name: | 5-{2-[(butan-2-yl)sulfamoyl]-4-[4-methoxy-3-(trifluoromethyl)benzamido]phenoxy}-4-methyl-1-(propan-2-yl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 612.62 |
| Molecular Formula: | C27 H31 F3 N4 O7 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(O)=O)nn1C(C)C)NC(c1ccc(c(c1)C(F)(F)F)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5707 |
| logD: | 1.8577 |
| logSw: | -4.4006 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.618 |
| InChI Key: | BRWGMVLWSNYDRW-HNNXBMFYSA-N |