3-(4-methoxyphenyl)-3-phenyl-1-[3-(pyridin-2-yl)azetidin-1-yl]propan-1-one

• ChemBase ID: 313681
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 372.18377802
• SMILES: N1(C(=O)CC(c2ccc(cc2)OC)c2ccccc2)CC(C1)c1ncccc1
• Canonical SMILES: COc1ccc(cc1)C(c1ccccc1)CC(=O)N1CC(C1)c1ccccn1
• InChI: InChI=1S/C24H24N2O2/c1-28-21-12-10-19(11-13-21)22(18-7-3-2-4-8-18)15-24(27)26-16-20(17-26)23-9-5-6-14-25-23/h2-14,20,22H,15-17H2,1H3
• InChIKey: IMYXGLZKGSNTEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-3-phenyl-1-[3-(pyridin-2-yl)azetidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-(4-methoxyphenyl)-3-phenyl-1-[3-(pyridin-2-yl)azetidin-1-yl]propan-1-one
• Synonyms: 2-{1-[3-(4-methoxyphenyl)-3-phenylpropanoyl]azetidin-3-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5322273
• LogD (pH = 7.4): 3.5647693
• Log P: 3.5652015
• Molar Refractivity: 109.4098 cm^3
• Polarizability: 42.67677 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.55
• LOG S: -3.65
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6