3-(3-methoxyphenoxy)-1-(2-phenylbenzoyl)azetidine

• ChemBase ID: 715498
• Molecular Formular: C23H21NO3
• Molecular Mass: 359.41774
• Monoisotopic Mass: 359.15214354
• SMILES: N1(C(=O)c2c(c3ccccc3)cccc2)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OC1CN(C1)C(=O)c1ccccc1c1ccccc1
• InChI: InChI=1S/C23H21NO3/c1-26-18-10-7-11-19(14-18)27-20-15-24(16-20)23(25)22-13-6-5-12-21(22)17-8-3-2-4-9-17/h2-14,20H,15-16H2,1H3
• InChIKey: ZTGYUJLKJJCHSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-methoxyphenoxy)-1-(2-phenylbenzoyl)azetidine
• IUPAC Traditional name: 3-(3-methoxyphenoxy)-1-(2-phenylbenzoyl)azetidine
• Synonyms: 1-(2-biphenylylcarbonyl)-3-(3-methoxyphenoxy)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.293084
• LogD (pH = 7.4): 4.293084
• Log P: 4.293084
• Molar Refractivity: 104.7826 cm^3
• Polarizability: 41.725895 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.97
• LOG S: -4.36
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5