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

• ChemBase ID: 487308
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: N1(C(=O)c2c(OCCC)cccc2)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: CCCOc1ccccc1C(=O)N1CC(C1)Oc1cccc(c1)OC
• InChI: InChI=1S/C20H23NO4/c1-3-11-24-19-10-5-4-9-18(19)20(22)21-13-17(14-21)25-16-8-6-7-15(12-16)23-2/h4-10,12,17H,3,11,13-14H2,1-2H3
• InChIKey: NPSWAYZHIHHTBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3675177
• LogD (pH = 7.4): 3.3675177
• Log P: 3.3675177
• Molar Refractivity: 95.3822 cm^3
• Polarizability: 36.94822 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -4.12
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7