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

• ChemBase ID: 568752
• Molecular Formular: C12H12ClN3O2S
• Molecular Mass: 297.76058
• Monoisotopic Mass: 297.03387532
• SMILES: S(=O)(=O)(N1Cc2n(cnc2)CC1)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1S(=O)(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C12H12ClN3O2S/c13-11-3-1-2-4-12(11)19(17,18)16-6-5-15-9-14-7-10(15)8-16/h1-4,7,9H,5-6,8H2
• InChIKey: RCFVDLLZEZTNHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7375306
• LogD (pH = 7.4): 1.1776005
• Log P: 1.2088287
• Molar Refractivity: 73.1867 cm^3
• Polarizability: 28.766897 Å^3
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.05
• LOG S: -2.27
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 1