3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate
Chemical Structure Depiction of
3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate
3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate
Compound characteristics
Compound ID: | 0104-0045 |
Compound Name: | 3-(3-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}benzamido)-1-phenyl-1H-pyrazol-5-yl 4-(propan-2-yl)benzene-1-sulfonate |
Molecular Weight: | 779.01 |
Molecular Formula: | C45 H54 N4 O6 S |
Smiles: | CCC(C(Nc1cccc(c1)C(Nc1cc(n(c2ccccc2)n1)OS(c1ccc(cc1)C(C)C)(=O)=O)=O)=O)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC |
Stereo: | RACEMIC MIXTURE |
logP: | 11.679 |
logD: | 11.6648 |
logSw: | -5.6968 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 103.003 |
InChI Key: | XYWGXDZNZNMXCN-LHEWISCISA-N |