6-methoxy-3-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide

• ChemBase ID: 849286
• Molecular Formular: C21H20N2O4
• Molecular Mass: 364.3945
• Monoisotopic Mass: 364.14230713
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)NC1CC(=O)N(C1)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)NC1CC(=O)N(C1)c1ccccc1
• InChI: InChI=1S/C21H20N2O4/c1-13-17-9-8-16(26-2)11-18(17)27-20(13)21(25)22-14-10-19(24)23(12-14)15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3,(H,22,25)
• InChIKey: IJAUWTPXHOJPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 6-methoxy-3-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
• Synonyms: 6-methoxy-3-methyl-N-(5-oxo-1-phenyl-3-pyrrolidinyl)-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.192429
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.384043
• LogD (pH = 7.4): 2.384043
• Log P: 2.384043
• Molar Refractivity: 100.1345 cm^3
• Polarizability: 39.25358 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.03
• LOG S: -4.44
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4