1-[(3-ethoxy-4-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]pyrrolidine

• ChemBase ID: 521908
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: c1(c2c(occ2)ccn1)Oc1c(cc(CN2CCCC2)cc1)OCC
• Canonical SMILES: CCOc1cc(ccc1Oc1nccc2c1cco2)CN1CCCC1
• InChI: InChI=1S/C20H22N2O3/c1-2-23-19-13-15(14-22-10-3-4-11-22)5-6-18(19)25-20-16-8-12-24-17(16)7-9-21-20/h5-9,12-13H,2-4,10-11,14H2,1H3
• InChIKey: LSZAZCJFMSUTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-ethoxy-4-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]pyrrolidine
• IUPAC Traditional name: 1-[(3-ethoxy-4-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]pyrrolidine
• Synonyms: 4-[2-ethoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.71361053
• LogD (pH = 7.4): 2.4711804
• Log P: 3.5557725
• Molar Refractivity: 96.592 cm^3
• Polarizability: 38.52005 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.05
• LOG S: -2.41
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 6