1-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)azetidine

• ChemBase ID: 628161
• Molecular Formular: C14H15NO3
• Molecular Mass: 245.2738
• Monoisotopic Mass: 245.10519335
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)N1CCC1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N1CCC1
• InChI: InChI=1S/C14H15NO3/c1-9-11-5-4-10(17-2)8-12(11)18-13(9)14(16)15-6-3-7-15/h4-5,8H,3,6-7H2,1-2H3
• InChIKey: TVGXPNHYWCZGCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)azetidine
• IUPAC Traditional name: 1-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)azetidine
• Synonyms: 1-[(6-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5945476
• LogD (pH = 7.4): 1.5945476
• Log P: 1.5945476
• Molar Refractivity: 68.0492 cm^3
• Polarizability: 26.619389 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.7
• LOG S: -1.59
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 2