2,3-dimethyl-6-(thiomorpholine-4-carbonyl)quinoxaline

• ChemBase ID: 762666
• Molecular Formular: C15H17N3OS
• Molecular Mass: 287.37998
• Monoisotopic Mass: 287.10923318
• SMILES: C(=O)(N1CCSCC1)c1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: O=C(c1ccc2c(c1)nc(c(n2)C)C)N1CCSCC1
• InChI: InChI=1S/C15H17N3OS/c1-10-11(2)17-14-9-12(3-4-13(14)16-10)15(19)18-5-7-20-8-6-18/h3-4,9H,5-8H2,1-2H3
• InChIKey: RWIKCPPJQRGABA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-6-(thiomorpholine-4-carbonyl)quinoxaline
• IUPAC Traditional name: 2,3-dimethyl-6-(thiomorpholine-4-carbonyl)quinoxaline
• Synonyms: 2,3-dimethyl-6-(4-thiomorpholinylcarbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2208941
• LogD (pH = 7.4): 1.220969
• Log P: 1.2209699
• Molar Refractivity: 80.8653 cm^3
• Polarizability: 32.115772 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.89
• LOG S: -3.42
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 1