N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)furan-2-carboxamide

• ChemBase ID: 600230
• Molecular Formular: C23H24N2O4
• Molecular Mass: 392.44766
• Monoisotopic Mass: 392.17360726
• SMILES: N(C(=O)c1occc1)(Cc1cc(OCC2COCC2)ccc1)Cc1ncccc1
• Canonical SMILES: O=C(c1ccco1)N(Cc1ccccn1)Cc1cccc(c1)OCC1CCOC1
• InChI: InChI=1S/C23H24N2O4/c26-23(22-8-4-11-28-22)25(15-20-6-1-2-10-24-20)14-18-5-3-7-21(13-18)29-17-19-9-12-27-16-19/h1-8,10-11,13,19H,9,12,14-17H2
• InChIKey: HEAOHDOEFVAXKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: N-{[3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-2-ylmethyl)furan-2-carboxamide
• Synonyms: N-(2-pyridinylmethyl)-N-[3-(tetrahydro-3-furanylmethoxy)benzyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.487676
• LogD (pH = 7.4): 2.5051072
• Log P: 2.5053341
• Molar Refractivity: 108.9237 cm^3
• Polarizability: 41.852554 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.36
• LOG S: -4.09
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8