2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[3-(phenylsulfanyl)propyl]acetamide

• ChemBase ID: 338705
• Molecular Formular: C19H21N3OS
• Molecular Mass: 339.45454
• Monoisotopic Mass: 339.14053331
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCCCSc1ccccc1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)NCCCSc1ccccc1
• InChI: InChI=1S/C19H21N3OS/c1-15-17(22-12-6-5-10-18(22)21-15)14-19(23)20-11-7-13-24-16-8-3-2-4-9-16/h2-6,8-10,12H,7,11,13-14H2,1H3,(H,20,23)
• InChIKey: UWBHGRSDRJWVQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[3-(phenylsulfanyl)propyl]acetamide
• IUPAC Traditional name: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-[3-(phenylsulfanyl)propyl]acetamide
• Synonyms: 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[3-(phenylthio)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.60504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5309503
• LogD (pH = 7.4): 2.2257237
• Log P: 2.2515223
• Molar Refractivity: 100.1944 cm^3
• Polarizability: 38.107723 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.95
• LOG S: -4.2
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 7