3-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-2-methyl-4-phenylpyridine

• ChemBase ID: 425578
• Molecular Formular: C23H22N2O2
• Molecular Mass: 358.43298
• Monoisotopic Mass: 358.16812795
• SMILES: C(=O)(N1C(CC1)c1cc(OC)ccc1)c1c(c2ccccc2)ccnc1C
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1c(C)nccc1c1ccccc1
• InChI: InChI=1S/C23H22N2O2/c1-16-22(20(11-13-24-16)17-7-4-3-5-8-17)23(26)25-14-12-21(25)18-9-6-10-19(15-18)27-2/h3-11,13,15,21H,12,14H2,1-2H3
• InChIKey: RXZKTYGYGOGBLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-2-methyl-4-phenylpyridine
• IUPAC Traditional name: 3-[2-(3-methoxyphenyl)azetidine-1-carbonyl]-2-methyl-4-phenylpyridine
• Synonyms: 3-{[2-(3-methoxyphenyl)azetidin-1-yl]carbonyl}-2-methyl-4-phenylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2418933
• LogD (pH = 7.4): 3.3456528
• Log P: 3.347165
• Molar Refractivity: 106.143 cm^3
• Polarizability: 41.92186 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.74
• LOG S: -4.15
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4