N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 394648
• Molecular Formular: C27H25FN2O2S
• Molecular Mass: 460.5630032
• Monoisotopic Mass: 460.16207727
• SMILES: C(=O)(N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1)Cc1cscc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)Cc1cscc1)Cc1ccncc1
• InChI: InChI=1S/C27H25FN2O2S/c28-25-6-4-21(5-7-25)10-14-32-26-3-1-2-23(16-26)19-30(18-22-8-12-29-13-9-22)27(31)17-24-11-15-33-20-24/h1-9,11-13,15-16,20H,10,14,17-19H2
• InChIKey: BLLVFUJRZDWTHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.1516843
• LogD (pH = 7.4): 5.259665
• Log P: 5.2612844
• Molar Refractivity: 129.2025 cm^3
• Polarizability: 49.358612 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.41
• LOG S: -6.62
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 10