N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-5-(methoxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

• ChemBase ID: 657619
• Molecular Formular: C28H27FN2O4
• Molecular Mass: 474.5233832
• Monoisotopic Mass: 474.19548557
• SMILES: c1(C(=O)N(Cc2cc(OCCc3ccc(F)cc3)ccc2)Cc2ccncc2)oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N(Cc1ccncc1)Cc1cccc(c1)OCCc1ccc(cc1)F
• InChI: InChI=1S/C28H27FN2O4/c1-33-20-26-9-10-27(35-26)28(32)31(18-22-11-14-30-15-12-22)19-23-3-2-4-25(17-23)34-16-13-21-5-7-24(29)8-6-21/h2-12,14-15,17H,13,16,18-20H2,1H3
• InChIKey: WCHSWUOIQFQNSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-5-(methoxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-5-(methoxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-5-(methoxymethyl)-N-(4-pyridinylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2471046
• LogD (pH = 7.4): 4.355082
• Log P: 4.3567014
• Molar Refractivity: 131.8808 cm^3
• Polarizability: 49.907463 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.55
• LOG S: -6.62
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 10