3-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

• ChemBase ID: 577070
• Molecular Formular: C19H21FN2O5
• Molecular Mass: 376.3788432
• Monoisotopic Mass: 376.14345
• SMILES: N1(C(=O)Nc2cc(c(c(c2)OC)OC)OC)CC(C1)Oc1ccc(F)cc1
• Canonical SMILES: COc1cc(NC(=O)N2CC(C2)Oc2ccc(cc2)F)cc(c1OC)OC
• InChI: InChI=1S/C19H21FN2O5/c1-24-16-8-13(9-17(25-2)18(16)26-3)21-19(23)22-10-15(11-22)27-14-6-4-12(20)5-7-14/h4-9,15H,10-11H2,1-3H3,(H,21,23)
• InChIKey: KOBUZFXTONXNEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
• IUPAC Traditional name: 3-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
• Synonyms: 3-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.134305
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5267427
• LogD (pH = 7.4): 2.526742
• Log P: 2.5267427
• Molar Refractivity: 97.2505 cm^3
• Polarizability: 36.877247 Å^3
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.69
• LOG S: -4.24
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 6