7-[2-(4-methylphenoxy)ethanesulfonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 484745
• Molecular Formular: C15H19N3O3S
• Molecular Mass: 321.39466
• Monoisotopic Mass: 321.11471248
• SMILES: S(=O)(=O)(N1Cc2n(cnc2)CC1)CCOc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)OCCS(=O)(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C15H19N3O3S/c1-13-2-4-15(5-3-13)21-8-9-22(19,20)18-7-6-17-12-16-10-14(17)11-18/h2-5,10,12H,6-9,11H2,1H3
• InChIKey: LXXQTPSTTJRILL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-methylphenoxy)ethanesulfonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-[2-(4-methylphenoxy)ethanesulfonyl]-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-{[2-(4-methylphenoxy)ethyl]sulfonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.32859665
• LogD (pH = 7.4): 0.76868254
• Log P: 0.7999182
• Molar Refractivity: 83.9501 cm^3
• Polarizability: 32.993694 Å^3
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.36
• LOG S: -2.71
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 4