N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(1H-imidazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 585782
• Molecular Formular: C26H25FN4O2
• Molecular Mass: 444.5007032
• Monoisotopic Mass: 444.19615428
• SMILES: C(=O)(N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1)Cn1cncc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)Cn1cncc1)Cc1ccncc1
• InChI: InChI=1S/C26H25FN4O2/c27-24-6-4-21(5-7-24)10-15-33-25-3-1-2-23(16-25)18-31(17-22-8-11-28-12-9-22)26(32)19-30-14-13-29-20-30/h1-9,11-14,16,20H,10,15,17-19H2
• InChIKey: CRFLRMLFFRONNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(1H-imidazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(imidazol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-2-(1H-imidazol-1-yl)-N-(4-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7928734
• LogD (pH = 7.4): 3.3652875
• Log P: 3.4262836
• Molar Refractivity: 124.7252 cm^3
• Polarizability: 47.526882 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.26
• LOG S: -5.15
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 10