2-(2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]piperazin-1-yl}ethoxy)ethan-1-ol

• ChemBase ID: 321108
• Molecular Formular: C20H26N2O5
• Molecular Mass: 374.43084
• Monoisotopic Mass: 374.18417194
• SMILES: c1(C(=O)N2CCN(CC2)CCOCCO)oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: OCCOCCN1CCN(CC1)C(=O)c1ccc(o1)c1ccc(cc1)OC
• InChI: InChI=1S/C20H26N2O5/c1-25-17-4-2-16(3-5-17)18-6-7-19(27-18)20(24)22-10-8-21(9-11-22)12-14-26-15-13-23/h2-7,23H,8-15H2,1H3
• InChIKey: SMCLIIJRFGYQRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]piperazin-1-yl}ethoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-{4-[5-(4-methoxyphenyl)furan-2-carbonyl]piperazin-1-yl}ethoxy)ethanol
• Synonyms: 2-(2-{4-[5-(4-methoxyphenyl)-2-furoyl]piperazin-1-yl}ethoxy)ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.121227
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.025083717
• LogD (pH = 7.4): 0.8167596
• Log P: 0.85108215
• Molar Refractivity: 102.1835 cm^3
• Polarizability: 40.34585 Å^3
• Polar Surface Area: 75.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.07
• LOG S: -2.84
• Polar Surface Area: 75.38 Å^2
• Rotatable Bonds: 8