2-methoxy-N-(2-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}phenyl)acetamide

• ChemBase ID: 330991
• Molecular Formular: C17H18N2O3S
• Molecular Mass: 330.40142
• Monoisotopic Mass: 330.10381345
• SMILES: C(=O)(N1Cc2c(scc2)CC1)c1c(NC(=O)COC)cccc1
• Canonical SMILES: COCC(=O)Nc1ccccc1C(=O)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C17H18N2O3S/c1-22-11-16(20)18-14-5-3-2-4-13(14)17(21)19-8-6-15-12(10-19)7-9-23-15/h2-5,7,9H,6,8,10-11H2,1H3,(H,18,20)
• InChIKey: KFQVFACHCFWRMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-(2-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}phenyl)acetamide
• IUPAC Traditional name: 2-methoxy-N-(2-{4H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}phenyl)acetamide
• Synonyms: N-[2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylcarbonyl)phenyl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.768724
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6620698
• LogD (pH = 7.4): 2.6620524
• Log P: 2.66207
• Molar Refractivity: 91.1687 cm^3
• Polarizability: 33.646107 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.87
• LOG S: -3.65
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3