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

• ChemBase ID: 554533
• Molecular Formular: C13H15N3O3S
• Molecular Mass: 293.3415
• Monoisotopic Mass: 293.08341236
• SMILES: S(=O)(=O)(N1Cc2n(cnc2)CC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1S(=O)(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C13H15N3O3S/c1-19-12-4-2-3-5-13(12)20(17,18)16-7-6-15-10-14-8-11(15)9-16/h2-5,8,10H,6-7,9H2,1H3
• InChIKey: XDQDNTIZSIWZHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxybenzenesulfonyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(2-methoxybenzenesulfonyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[(2-methoxyphenyl)sulfonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.024185343
• LogD (pH = 7.4): 0.41588458
• Log P: 0.4471128
• Molar Refractivity: 74.8451 cm^3
• Polarizability: 29.366854 Å^3
• Polar Surface Area: 64.43 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: 0.61
• LOG S: -1.86
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 2