2,3-dimethyl-6-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}quinoxaline

• ChemBase ID: 498347
• Molecular Formular: C14H14N4OS
• Molecular Mass: 286.35216
• Monoisotopic Mass: 286.08883209
• SMILES: n1c(onc1CSC)c1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: CSCc1noc(n1)c1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C14H14N4OS/c1-8-9(2)16-12-6-10(4-5-11(12)15-8)14-17-13(7-20-3)18-19-14/h4-6H,7H2,1-3H3
• InChIKey: SYCHPKNMZQZSDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}quinoxaline
• IUPAC Traditional name: 2,3-dimethyl-6-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}quinoxaline
• Synonyms: 2,3-dimethyl-6-{3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.617584
• LogD (pH = 7.4): 2.61772
• Log P: 2.6177218
• Molar Refractivity: 89.4557 cm^3
• Polarizability: 31.71905 Å^3
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.65
• LOG S: -3.55
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 3