1-(1-benzofuran-3-carbonyl)-2-(3-methoxyphenyl)azetidine

• ChemBase ID: 625716
• Molecular Formular: C19H17NO3
• Molecular Mass: 307.34318
• Monoisotopic Mass: 307.12084341
• SMILES: c1(C(=O)N2C(CC2)c2cc(OC)ccc2)coc2c1cccc2
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1coc2c1cccc2
• InChI: InChI=1S/C19H17NO3/c1-22-14-6-4-5-13(11-14)17-9-10-20(17)19(21)16-12-23-18-8-3-2-7-15(16)18/h2-8,11-12,17H,9-10H2,1H3
• InChIKey: QWPGAZGBVANQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-3-carbonyl)-2-(3-methoxyphenyl)azetidine
• IUPAC Traditional name: 1-(1-benzofuran-3-carbonyl)-2-(3-methoxyphenyl)azetidine
• Synonyms: 1-(1-benzofuran-3-ylcarbonyl)-2-(3-methoxyphenyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9453654
• LogD (pH = 7.4): 2.9453654
• Log P: 2.9453654
• Molar Refractivity: 87.4133 cm^3
• Polarizability: 34.45286 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.34
• LOG S: -3.44
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 3