N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

• ChemBase ID: 557550
• Molecular Formular: C15H19NO4
• Molecular Mass: 277.31566
• Monoisotopic Mass: 277.13140809
• SMILES: c1(C(=O)N[C@@H]2[C@H](COC2)OCC)c2OCCc2ccc1
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC(=O)c1cccc2c1OCC2
• InChI: InChI=1S/C15H19NO4/c1-2-19-13-9-18-8-12(13)16-15(17)11-5-3-4-10-6-7-20-14(10)11/h3-5,12-13H,2,6-9H2,1H3,(H,16,17)/t12-,13-/m0/s1
• InChIKey: BLANPUSQLHNRMB-STQMWFEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• IUPAC Traditional name: N-[(3S,4R)-4-ethoxyoxolan-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
• Synonyms: N-[(3S*,4R*)-4-ethoxytetrahydrofuran-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.219788
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1406455
• LogD (pH = 7.4): 1.1406455
• Log P: 1.1406455
• Molar Refractivity: 74.0129 cm^3
• Polarizability: 28.4549 Å^3
• Polar Surface Area: 56.79 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: 0.64
• LOG S: -1.77
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 4