2-(4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-sulfonyl}phenoxy)acetamide

• ChemBase ID: 544531
• Molecular Formular: C14H16N4O4S
• Molecular Mass: 336.36624
• Monoisotopic Mass: 336.08922601
• SMILES: S(=O)(=O)(N1Cc2n(cnc2)CC1)c1ccc(OCC(=O)N)cc1
• Canonical SMILES: NC(=O)COc1ccc(cc1)S(=O)(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H16N4O4S/c15-14(19)9-22-12-1-3-13(4-2-12)23(20,21)18-6-5-17-10-16-7-11(17)8-18/h1-4,7,10H,5-6,8-9H2,(H2,15,19)
• InChIKey: HYMYGQLNAAASDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-sulfonyl}phenoxy)acetamide
• IUPAC Traditional name: 2-(4-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-sulfonyl}phenoxy)acetamide
• Synonyms: 2-[4-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylsulfonyl)phenoxy]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.38143
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.3531446
• LogD (pH = 7.4): -0.9130747
• Log P: -0.8818465
• Molar Refractivity: 82.7519 cm^3
• Polarizability: 32.474667 Å^3
• Polar Surface Area: 107.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.16
• LOG S: -2.83
• Polar Surface Area: 107.52 Å^2
• Rotatable Bonds: 4