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

• ChemBase ID: 375130
• Molecular Formular: C29H34FN3O5
• Molecular Mass: 523.5957632
• Monoisotopic Mass: 523.24824942
• SMILES: C(=O)(N(Cc1cc(c(c(c1)OC)OCCN1CCOCC1)OC)Cc1ccncc1)Cc1ccc(F)cc1
• Canonical SMILES: COc1cc(CN(C(=O)Cc2ccc(cc2)F)Cc2ccncc2)cc(c1OCCN1CCOCC1)OC
• InChI: InChI=1S/C29H34FN3O5/c1-35-26-17-24(18-27(36-2)29(26)38-16-13-32-11-14-37-15-12-32)21-33(20-23-7-9-31-10-8-23)28(34)19-22-3-5-25(30)6-4-22/h3-10,17-18H,11-16,19-21H2,1-2H3
• InChIKey: JXIJEIWBBLNPJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.239983
• LogD (pH = 7.4): 2.934733
• Log P: 2.9525096
• Molar Refractivity: 142.7491 cm^3
• Polarizability: 55.11122 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.17
• LOG S: -2.8
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 10