4-({4-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 459024
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: N1(C(=O)c2cc(oc2)CN2CCOCC2)C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C20H24N2O4/c1-24-17-4-2-3-15(11-17)19-5-6-22(19)20(23)16-12-18(26-14-16)13-21-7-9-25-10-8-21/h2-4,11-12,14,19H,5-10,13H2,1H3
• InChIKey: OFHPBGXHGGARKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[2-(3-methoxyphenyl)azetidine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-[(4-{[2-(3-methoxyphenyl)azetidin-1-yl]carbonyl}-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2397074
• LogD (pH = 7.4): 1.5632137
• Log P: 1.5693849
• Molar Refractivity: 98.5803 cm^3
• Polarizability: 37.642586 Å^3
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.65
• LOG S: -2.35
• Polar Surface Area: 55.15 Å^2
• Rotatable Bonds: 5