1-{[5-(4-ethoxyphenyl)furan-2-yl]methyl}-4-(2-methoxyethyl)piperazine

• ChemBase ID: 479884
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: c1(oc(cc1)CN1CCN(CC1)CCOC)c1ccc(cc1)OCC
• Canonical SMILES: COCCN1CCN(CC1)Cc1ccc(o1)c1ccc(cc1)OCC
• InChI: InChI=1S/C20H28N2O3/c1-3-24-18-6-4-17(5-7-18)20-9-8-19(25-20)16-22-12-10-21(11-13-22)14-15-23-2/h4-9H,3,10-16H2,1-2H3
• InChIKey: USGNUBAHFUAQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[5-(4-ethoxyphenyl)furan-2-yl]methyl}-4-(2-methoxyethyl)piperazine
• IUPAC Traditional name: 1-{[5-(4-ethoxyphenyl)furan-2-yl]methyl}-4-(2-methoxyethyl)piperazine
• Synonyms: 1-{[5-(4-ethoxyphenyl)-2-furyl]methyl}-4-(2-methoxyethyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.09574823
• LogD (pH = 7.4): 1.857562
• Log P: 2.5413964
• Molar Refractivity: 100.3107 cm^3
• Polarizability: 40.265423 Å^3
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.08
• LOG S: -2.48
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 8