N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 547196
• Molecular Formular: C30H29FN2O4
• Molecular Mass: 500.5606632
• Monoisotopic Mass: 500.21113564
• SMILES: C(=O)(N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1)c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C(=O)N(Cc1ccncc1)Cc1cccc(c1)OCCc1ccc(cc1)F
• InChI: InChI=1S/C30H29FN2O4/c1-35-28-17-25(18-29(19-28)36-2)30(34)33(20-23-10-13-32-14-11-23)21-24-4-3-5-27(16-24)37-15-12-22-6-8-26(31)9-7-22/h3-11,13-14,16-19H,12,15,20-21H2,1-2H3
• InChIKey: YRIOFRCWQFKHHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-3,5-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-3,5-dimethoxy-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.0757375
• LogD (pH = 7.4): 5.183715
• Log P: 5.1853347
• Molar Refractivity: 140.9717 cm^3
• Polarizability: 53.688793 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.84
• LOG S: -6.6
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 9