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

• ChemBase ID: 335346
• Molecular Formular: C33H29FN2O4
• Molecular Mass: 536.5927632
• Monoisotopic Mass: 536.21113564
• SMILES: c1(C(=O)N(Cc2cc(OCCc3ccc(F)cc3)ccc2)Cc2ccncc2)oc(cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)N(Cc1cccc(c1)OCCc1ccc(cc1)F)Cc1ccncc1
• InChI: InChI=1S/C33H29FN2O4/c1-38-29-11-7-27(8-12-29)31-13-14-32(40-31)33(37)36(22-25-15-18-35-19-16-25)23-26-3-2-4-30(21-26)39-20-17-24-5-9-28(34)10-6-24/h2-16,18-19,21H,17,20,22-23H2,1H3
• InChIKey: BVMFIBPWXPTHOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.860882
• LogD (pH = 7.4): 5.968859
• Log P: 5.970479
• Molar Refractivity: 151.9131 cm^3
• Polarizability: 58.991714 Å^3
• Polar Surface Area: 64.8 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: 5.85
• LOG S: -7.66
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 10