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

• ChemBase ID: 550600
• Molecular Formular: C20H21N3
• Molecular Mass: 303.40084
• Monoisotopic Mass: 303.17354769
• SMILES: c12n(cnc2)CCN(C1)CC(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C20H21N3/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)15-22-11-12-23-16-21-13-19(23)14-22/h1-10,13,16,20H,11-12,14-15H2
• InChIKey: LICHQSUZFSTHKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.97342277
• LogD (pH = 7.4): 2.9016259
• Log P: 3.280236
• Molar Refractivity: 94.2949 cm^3
• Polarizability: 36.225147 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -2.73
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 4