N-{[7-fluoro-5-(pyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-oxo-2,3-dihydro-1H-indene-1-carboxamide

• ChemBase ID: 689583
• Molecular Formular: C24H19FN2O3
• Molecular Mass: 402.4176632
• Monoisotopic Mass: 402.1379707
• SMILES: C1(c2c(C(=O)C1)cccc2)C(=O)NCC1Oc2c(cc(cc2F)c2ncccc2)C1
• Canonical SMILES: Fc1cc(cc2c1OC(C2)CNC(=O)C1CC(=O)c2c1cccc2)c1ccccn1
• InChI: InChI=1S/C24H19FN2O3/c25-20-11-14(21-7-3-4-8-26-21)9-15-10-16(30-23(15)20)13-27-24(29)19-12-22(28)18-6-2-1-5-17(18)19/h1-9,11,16,19H,10,12-13H2,(H,27,29)
• InChIKey: WDCBFRIUJLFSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[7-fluoro-5-(pyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-oxo-2,3-dihydro-1H-indene-1-carboxamide
• IUPAC Traditional name: N-{[7-fluoro-5-(pyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-oxo-1,2-dihydroindene-1-carboxamide
• Synonyms: N-{[7-fluoro-5-(2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-oxo-1-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.107916
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1457295
• LogD (pH = 7.4): 3.1774237
• Log P: 3.1778443
• Molar Refractivity: 109.0402 cm^3
• Polarizability: 42.98331 Å^3
• Polar Surface Area: 68.29 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: 3.47
• LOG S: -5.89
• Polar Surface Area: 68.29 Å^2
• Rotatable Bonds: 4