N-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide

• ChemBase ID: 686459
• Molecular Formular: C23H20N2O3
• Molecular Mass: 372.4165
• Monoisotopic Mass: 372.14739251
• SMILES: c1(C(=O)N(Cc2ccc(cc2)OC)Cc2ccncc2)coc2c1cccc2
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1coc2c1cccc2)Cc1ccncc1
• InChI: InChI=1S/C23H20N2O3/c1-27-19-8-6-17(7-9-19)14-25(15-18-10-12-24-13-11-18)23(26)21-16-28-22-5-3-2-4-20(21)22/h2-13,16H,14-15H2,1H3
• InChIKey: YIVVAUGQSYYKGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
• Synonyms: N-(4-methoxybenzyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.394367
• LogD (pH = 7.4): 3.5023446
• Log P: 3.5039642
• Molar Refractivity: 107.3024 cm^3
• Polarizability: 42.04034 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -3.02
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6