3-(2-ethylphenoxy)-1-(5-fluoro-2-methoxybenzoyl)azetidine

• ChemBase ID: 408295
• Molecular Formular: C19H20FNO3
• Molecular Mass: 329.3654032
• Monoisotopic Mass: 329.14272173
• SMILES: N1(C(=O)c2c(ccc(c2)F)OC)CC(C1)Oc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)C(=O)c1cc(F)ccc1OC
• InChI: InChI=1S/C19H20FNO3/c1-3-13-6-4-5-7-17(13)24-15-11-21(12-15)19(22)16-10-14(20)8-9-18(16)23-2/h4-10,15H,3,11-12H2,1-2H3
• InChIKey: VLDKLSRWOGYOEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethylphenoxy)-1-(5-fluoro-2-methoxybenzoyl)azetidine
• IUPAC Traditional name: 3-(2-ethylphenoxy)-1-(5-fluoro-2-methoxybenzoyl)azetidine
• Synonyms: 3-(2-ethylphenoxy)-1-(5-fluoro-2-methoxybenzoyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7465506
• LogD (pH = 7.4): 3.7465508
• Log P: 3.7465508
• Molar Refractivity: 89.505 cm^3
• Polarizability: 34.0269 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: 3.32
• LOG S: -4.44
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5