N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 321522
• Molecular Formular: C35H39N3O5
• Molecular Mass: 581.70126
• Monoisotopic Mass: 581.28897136
• SMILES: C(=O)(N(Cc1cc(c(c(c1)OC)OCCN1CCOCC1)OC)Cc1ccncc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: COc1cc(CN(C(=O)C(c2ccccc2)c2ccccc2)Cc2ccncc2)cc(c1OCCN1CCOCC1)OC
• InChI: InChI=1S/C35H39N3O5/c1-40-31-23-28(24-32(41-2)34(31)43-22-19-37-17-20-42-21-18-37)26-38(25-27-13-15-36-16-14-27)35(39)33(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-16,23-24,33H,17-22,25-26H2,1-2H3
• InChIKey: FPTNTPSDBZXRLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-({3,5-dimethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-2,2-diphenyl-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: N-{3,5-dimethoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}-2,2-diphenyl-N-(4-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.7740717
• LogD (pH = 7.4): 4.4688215
• Log P: 4.486598
• Molar Refractivity: 167.2022 cm^3
• Polarizability: 65.0327 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.37
• LOG S: -3.54
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 11