2,4-dimethoxy-N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 327367
• Molecular Formular: C28H32N2O6
• Molecular Mass: 492.56348
• Monoisotopic Mass: 492.22603675
• SMILES: c1(C(=O)N(Cc2cnccc2)Cc2cc(OCC3COCC3)c(cc2)OC)c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)C(=O)N(Cc1ccc(c(c1)OCC1COCC1)OC)Cc1cccnc1
• InChI: InChI=1S/C28H32N2O6/c1-32-23-7-8-24(26(14-23)34-3)28(31)30(17-21-5-4-11-29-15-21)16-20-6-9-25(33-2)27(13-20)36-19-22-10-12-35-18-22/h4-9,11,13-15,22H,10,12,16-19H2,1-3H3
• InChIKey: PUDKYNIFOWRMFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 2,4-dimethoxy-N-{[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 2,4-dimethoxy-N-[4-methoxy-3-(tetrahydro-3-furanylmethoxy)benzyl]-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.8183506
• LogD (pH = 7.4): 2.8895926
• Log P: 2.8906019
• Molar Refractivity: 136.4446 cm^3
• Polarizability: 52.540524 Å^3
• Polar Surface Area: 79.35 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.16
• LOG S: -3.7
• Polar Surface Area: 79.35 Å^2
• Rotatable Bonds: 8