8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-1-oxa-8-azaspiro[4.6]undecane

• ChemBase ID: 676611
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)N1CCC2(OCCC2)CCC1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N1CCCC2(CC1)CCCO2
• InChI: InChI=1S/C20H25NO4/c1-14-16-6-5-15(23-2)13-17(16)25-18(14)19(22)21-10-3-7-20(9-11-21)8-4-12-24-20/h5-6,13H,3-4,7-12H2,1-2H3
• InChIKey: CEJUIDXIXXSXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-1-oxa-8-azaspiro[4.6]undecane
• IUPAC Traditional name: 8-(6-methoxy-3-methyl-1-benzofuran-2-carbonyl)-1-oxa-8-azaspiro[4.6]undecane
• Synonyms: 8-[(6-methoxy-3-methyl-1-benzofuran-2-yl)carbonyl]-1-oxa-8-azaspiro[4.6]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5142279
• LogD (pH = 7.4): 2.5142279
• Log P: 2.5142279
• Molar Refractivity: 95.7035 cm^3
• Polarizability: 37.6337 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.71
• LOG S: -3.16
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 2