3-[1-(5-phenoxyfuran-2-carbonyl)azetidin-3-yl]pyridine

• ChemBase ID: 575883
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: N1(C(=O)c2oc(cc2)Oc2ccccc2)CC(C1)c1cnccc1
• Canonical SMILES: O=C(N1CC(C1)c1cccnc1)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C19H16N2O3/c22-19(21-12-15(13-21)14-5-4-10-20-11-14)17-8-9-18(24-17)23-16-6-2-1-3-7-16/h1-11,15H,12-13H2
• InChIKey: RVVJUTRNEMYRQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(5-phenoxyfuran-2-carbonyl)azetidin-3-yl]pyridine
• IUPAC Traditional name: 3-[1-(5-phenoxyfuran-2-carbonyl)azetidin-3-yl]pyridine
• Synonyms: 3-[1-(5-phenoxy-2-furoyl)-3-azetidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1203308
• LogD (pH = 7.4): 2.203749
• Log P: 2.204953
• Molar Refractivity: 88.0657 cm^3
• Polarizability: 33.85525 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.74
• LOG S: -2.58
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4