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

• ChemBase ID: 461812
• Molecular Formular: C32H28FN3O2S
• Molecular Mass: 537.6470232
• Monoisotopic Mass: 537.18862637
• SMILES: n1c(scc1CC(=O)N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)Cc1csc(n1)c1ccccc1)Cc1ccncc1
• InChI: InChI=1S/C32H28FN3O2S/c33-28-11-9-24(10-12-28)15-18-38-30-8-4-5-26(19-30)22-36(21-25-13-16-34-17-14-25)31(37)20-29-23-39-32(35-29)27-6-2-1-3-7-27/h1-14,16-17,19,23H,15,18,20-22H2
• InChIKey: RYRNTRKYDABAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.4405065
• LogD (pH = 7.4): 6.5486345
• Log P: 6.550256
• Molar Refractivity: 162.0347 cm^3
• Polarizability: 58.758804 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.2
• LOG S: -8.1
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 11