N,N-dimethyl-5-(quinoxaline-5-carbonyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

• ChemBase ID: 408355
• Molecular Formular: C19H18N4O2S
• Molecular Mass: 366.43682
• Monoisotopic Mass: 366.11504684
• SMILES: c1(sc2c(c1)CN(C(=O)c1c3nccnc3ccc1)CC2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1sc2c(c1)CN(CC2)C(=O)c1cccc2c1nccn2)C
• InChI: InChI=1S/C19H18N4O2S/c1-22(2)19(25)16-10-12-11-23(9-6-15(12)26-16)18(24)13-4-3-5-14-17(13)21-8-7-20-14/h3-5,7-8,10H,6,9,11H2,1-2H3
• InChIKey: PDYRUUPIUDVGSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-(quinoxaline-5-carbonyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-(quinoxaline-5-carbonyl)-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• Synonyms: N,N-dimethyl-5-(quinoxalin-5-ylcarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.704742
• LogD (pH = 7.4): 1.7047457
• Log P: 1.7047457
• Molar Refractivity: 99.9006 cm^3
• Polarizability: 38.469448 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.83
• LOG S: -2.47
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2