2-hydroxy-4-methoxy-N-[(2-phenoxypyridin-3-yl)methyl]benzamide

• ChemBase ID: 323980
• Molecular Formular: C20H18N2O4
• Molecular Mass: 350.36792
• Monoisotopic Mass: 350.12665707
• SMILES: c1(C(=O)NCc2c(Oc3ccccc3)nccc2)c(cc(cc1)OC)O
• Canonical SMILES: COc1ccc(c(c1)O)C(=O)NCc1cccnc1Oc1ccccc1
• InChI: InChI=1S/C20H18N2O4/c1-25-16-9-10-17(18(23)12-16)19(24)22-13-14-6-5-11-21-20(14)26-15-7-3-2-4-8-15/h2-12,23H,13H2,1H3,(H,22,24)
• InChIKey: AOFOAXHWRWFOFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-4-methoxy-N-[(2-phenoxypyridin-3-yl)methyl]benzamide
• IUPAC Traditional name: 2-hydroxy-4-methoxy-N-[(2-phenoxypyridin-3-yl)methyl]benzamide
• Synonyms: 2-hydroxy-4-methoxy-N-[(2-phenoxypyridin-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.104563
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.8367355
• LogD (pH = 7.4): 3.7602694
• Log P: 3.837871
• Molar Refractivity: 97.4872 cm^3
• Polarizability: 37.151283 Å^3
• Polar Surface Area: 80.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.74
• LOG S: -4.37
• Polar Surface Area: 80.68 Å^2
• Rotatable Bonds: 6