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

• ChemBase ID: 631640
• Molecular Formular: C13H11Cl2N3O
• Molecular Mass: 296.15194
• Monoisotopic Mass: 295.02791735
• SMILES: C(=O)(N1Cc2n(cnc2)CC1)c1c(Cl)cccc1Cl
• Canonical SMILES: Clc1cccc(c1C(=O)N1CCn2c(C1)cnc2)Cl
• InChI: InChI=1S/C13H11Cl2N3O/c14-10-2-1-3-11(15)12(10)13(19)17-4-5-18-8-16-6-9(18)7-17/h1-3,6,8H,4-5,7H2
• InChIKey: PIQYJYLPUYPNBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5843805
• LogD (pH = 7.4): 2.0256753
• Log P: 2.057483
• Molar Refractivity: 74.912 cm^3
• Polarizability: 28.209635 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.82
• LOG S: -2.91
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 1