1-(1,4-dioxane-2-carbonyl)-3-(2-methoxyphenoxy)azetidine

• ChemBase ID: 842252
• Molecular Formular: C15H19NO5
• Molecular Mass: 293.31506
• Monoisotopic Mass: 293.12632271
• SMILES: N1(C(=O)C2OCCOC2)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)C1COCCO1
• InChI: InChI=1S/C15H19NO5/c1-18-12-4-2-3-5-13(12)21-11-8-16(9-11)15(17)14-10-19-6-7-20-14/h2-5,11,14H,6-10H2,1H3
• InChIKey: HQTLRUQIVKVFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,4-dioxane-2-carbonyl)-3-(2-methoxyphenoxy)azetidine
• IUPAC Traditional name: 1-(1,4-dioxane-2-carbonyl)-3-(2-methoxyphenoxy)azetidine
• Synonyms: 1-(1,4-dioxan-2-ylcarbonyl)-3-(2-methoxyphenoxy)azetidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.063353
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.61101854
• LogD (pH = 7.4): 0.61101854
• Log P: 0.61101854
• Molar Refractivity: 74.2491 cm^3
• Polarizability: 29.453136 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.56
• LOG S: -1.82
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4