7-[2-(3-methylphenyl)benzoyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 839882
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: N1(C(=O)c2c(c3cc(ccc3)C)cccc2)Cc2n(cnc2)CC1
• Canonical SMILES: Cc1cccc(c1)c1ccccc1C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C20H19N3O/c1-15-5-4-6-16(11-15)18-7-2-3-8-19(18)20(24)22-9-10-23-14-21-12-17(23)13-22/h2-8,11-12,14H,9-10,13H2,1H3
• InChIKey: LZIYECBHXQOVBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(3-methylphenyl)benzoyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-[2-(3-methylphenyl)benzoyl]-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[(3'-methylbiphenyl-2-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5369377
• LogD (pH = 7.4): 2.9782329
• Log P: 3.0100403
• Molar Refractivity: 95.4798 cm^3
• Polarizability: 37.107937 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.51
• LOG S: -2.8
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2