({7-fluoro-2-[2-(phenylsulfanyl)ethoxy]quinolin-3-yl}methyl)[(5-methylpyrazin-2-yl)methyl]amine

• ChemBase ID: 617200
• Molecular Formular: C24H23FN4OS
• Molecular Mass: 434.5290232
• Monoisotopic Mass: 434.1576606
• SMILES: n1c(c(cc2c1cc(cc2)F)CNCc1ncc(nc1)C)OCCSc1ccccc1
• Canonical SMILES: Fc1ccc2c(c1)nc(c(c2)CNCc1cnc(cn1)C)OCCSc1ccccc1
• InChI: InChI=1S/C24H23FN4OS/c1-17-13-28-21(16-27-17)15-26-14-19-11-18-7-8-20(25)12-23(18)29-24(19)30-9-10-31-22-5-3-2-4-6-22/h2-8,11-13,16,26H,9-10,14-15H2,1H3
• InChIKey: ZZYICONMBHVJNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({7-fluoro-2-[2-(phenylsulfanyl)ethoxy]quinolin-3-yl}methyl)[(5-methylpyrazin-2-yl)methyl]amine
• IUPAC Traditional name: ({7-fluoro-2-[2-(phenylsulfanyl)ethoxy]quinolin-3-yl}methyl)[(5-methylpyrazin-2-yl)methyl]amine
• Synonyms: ({7-fluoro-2-[2-(phenylthio)ethoxy]-3-quinolinyl}methyl)[(5-methyl-2-pyrazinyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.572647
• LogD (pH = 7.4): 3.83206
• Log P: 3.9409604
• Molar Refractivity: 121.6396 cm^3
• Polarizability: 48.367332 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.58
• LOG S: -6.66
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 9