3-{1-[(2-phenylphenyl)methyl]azetidin-3-yl}pyridine

• ChemBase ID: 690146
• Molecular Formular: C21H20N2
• Molecular Mass: 300.3969
• Monoisotopic Mass: 300.16264865
• SMILES: N1(CC(C1)c1cnccc1)Cc1c(c2ccccc2)cccc1
• Canonical SMILES: c1ccc(cc1)c1ccccc1CN1CC(C1)c1cccnc1
• InChI: InChI=1S/C21H20N2/c1-2-7-17(8-3-1)21-11-5-4-9-19(21)14-23-15-20(16-23)18-10-6-12-22-13-18/h1-13,20H,14-16H2
• InChIKey: SAKCDFRODNPUDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{1-[(2-phenylphenyl)methyl]azetidin-3-yl}pyridine
• IUPAC Traditional name: 3-{1-[(2-phenylphenyl)methyl]azetidin-3-yl}pyridine
• Synonyms: 3-[1-(2-biphenylylmethyl)-3-azetidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.747043
• LogD (pH = 7.4): 2.433266
• Log P: 3.845758
• Molar Refractivity: 94.9878 cm^3
• Polarizability: 38.232567 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.53
• LOG S: -2.1
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4