2,4-dimethoxy-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}benzamide

• ChemBase ID: 386605
• Molecular Formular: C24H24N2O4
• Molecular Mass: 404.45836
• Monoisotopic Mass: 404.17360726
• SMILES: c1(C(=O)NCC2Oc3c(cc(c4ncc(cc4)C)cc3)C2)c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1C(=O)NCC1Cc2c(O1)ccc(c2)c1ccc(cn1)C
• InChI: InChI=1S/C24H24N2O4/c1-15-4-8-21(25-13-15)16-5-9-22-17(10-16)11-19(30-22)14-26-24(27)20-7-6-18(28-2)12-23(20)29-3/h4-10,12-13,19H,11,14H2,1-3H3,(H,26,27)
• InChIKey: ZDGSWNLLYSTVKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}benzamide
• IUPAC Traditional name: 2,4-dimethoxy-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}benzamide
• Synonyms: 2,4-dimethoxy-N-{[5-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.211614
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.7069347
• LogD (pH = 7.4): 3.8033578
• Log P: 3.8047495
• Molar Refractivity: 114.14 cm^3
• Polarizability: 45.07246 Å^3
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.26
• LOG S: -6.2
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 4