5-[2-(2-ethoxyphenoxy)ethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine

• ChemBase ID: 560941
• Molecular Formular: C17H21NO2S
• Molecular Mass: 303.41914
• Monoisotopic Mass: 303.12929992
• SMILES: c12c(scc2)CCN(C1)CCOc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1OCCN1CCc2c(C1)ccs2
• InChI: InChI=1S/C17H21NO2S/c1-2-19-15-5-3-4-6-16(15)20-11-10-18-9-7-17-14(13-18)8-12-21-17/h3-6,8,12H,2,7,9-11,13H2,1H3
• InChIKey: BBUOLEZEDBXKNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(2-ethoxyphenoxy)ethyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine
• IUPAC Traditional name: 5-[2-(2-ethoxyphenoxy)ethyl]-4H,6H,7H-thieno[3,2-c]pyridine
• Synonyms: 5-[2-(2-ethoxyphenoxy)ethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4370738
• LogD (pH = 7.4): 3.1670468
• Log P: 3.7105987
• Molar Refractivity: 86.6746 cm^3
• Polarizability: 33.52926 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.97
• LOG S: -3.79
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6