2,5-dimethoxy-N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 359400
• Molecular Formular: C27H30N2O6
• Molecular Mass: 478.5369
• Monoisotopic Mass: 478.21038669
• SMILES: c1(C(=O)N(Cc2cnccc2)Cc2cc(c(OC3CCOC3)cc2)OC)c(ccc(c1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC1COCC1)CN(C(=O)c1cc(OC)ccc1OC)Cc1cccnc1
• InChI: InChI=1S/C27H30N2O6/c1-31-21-7-9-24(32-2)23(14-21)27(30)29(17-20-5-4-11-28-15-20)16-19-6-8-25(26(13-19)33-3)35-22-10-12-34-18-22/h4-9,11,13-15,22H,10,12,16-18H2,1-3H3
• InChIKey: DDQWULUAXHVSFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethoxy-N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 2,5-dimethoxy-N-{[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl}-N-(pyridin-3-ylmethyl)benzamide
• Synonyms: 2,5-dimethoxy-N-[3-methoxy-4-(tetrahydro-3-furanyloxy)benzyl]-N-(3-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.700802
• LogD (pH = 7.4): 2.772044
• Log P: 2.7730534
• Molar Refractivity: 131.461 cm^3
• Polarizability: 50.70176 Å^3
• Polar Surface Area: 79.35 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.08
• LOG S: -3.38
• Polar Surface Area: 79.35 Å^2
• Rotatable Bonds: 7