7-(3-phenoxybenzenesulfonyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 410789
• Molecular Formular: C18H17N3O3S
• Molecular Mass: 355.41088
• Monoisotopic Mass: 355.09906242
• SMILES: S(=O)(=O)(N1Cc2n(cnc2)CC1)c1cc(Oc2ccccc2)ccc1
• Canonical SMILES: O=S(=O)(N1CCn2c(C1)cnc2)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C18H17N3O3S/c22-25(23,21-10-9-20-14-19-12-15(20)13-21)18-8-4-7-17(11-18)24-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
• InChIKey: HGUPHJXPJNLHGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-phenoxybenzenesulfonyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(3-phenoxybenzenesulfonyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[(3-phenoxyphenyl)sulfonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6337731
• LogD (pH = 7.4): 2.073843
• Log P: 2.1050713
• Molar Refractivity: 94.6227 cm^3
• Polarizability: 37.135815 Å^3
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.13
• LOG S: -4.46
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 3