N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 554445
• Molecular Formular: C27H26FN3O2S
• Molecular Mass: 475.5776432
• Monoisotopic Mass: 475.17297631
• SMILES: n1c(CC(=O)N(Cc2cc(OCCc3ccc(F)cc3)ccc2)Cc2ccncc2)csc1C
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)Cc1csc(n1)C)Cc1ccncc1
• InChI: InChI=1S/C27H26FN3O2S/c1-20-30-25(19-34-20)16-27(32)31(17-22-9-12-29-13-10-22)18-23-3-2-4-26(15-23)33-14-11-21-5-7-24(28)8-6-21/h2-10,12-13,15,19H,11,14,16-18H2,1H3
• InChIKey: JZDVINIEDKTVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-2-(2-methyl-1,3-thiazol-4-yl)-N-(4-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.537593
• LogD (pH = 7.4): 4.6469135
• Log P: 4.64855
• Molar Refractivity: 131.3738 cm^3
• Polarizability: 50.250736 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.6
• LOG S: -6.49
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 10