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

• ChemBase ID: 481126
• Molecular Formular: C23H24FN3OS
• Molecular Mass: 409.5195632
• Monoisotopic Mass: 409.16241162
• SMILES: n1c(scc1CC(=O)NC1CN(Cc2c(F)cccc2)CCC1)c1ccccc1
• Canonical SMILES: O=C(Cc1csc(n1)c1ccccc1)NC1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C23H24FN3OS/c24-21-11-5-4-9-18(21)14-27-12-6-10-19(15-27)25-22(28)13-20-16-29-23(26-20)17-7-2-1-3-8-17/h1-5,7-9,11,16,19H,6,10,12-15H2,(H,25,28)
• InChIKey: HWMWLKVNLZNHFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.809291
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7403197
• LogD (pH = 7.4): 4.23362
• Log P: 4.448525
• Molar Refractivity: 124.0818 cm^3
• Polarizability: 44.35454 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.15
• LOG S: -5.09
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6