7-[(4,5-dichlorothiophen-2-yl)sulfonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 865953
• Molecular Formular: C10H9Cl2N3O2S2
• Molecular Mass: 338.23336
• Monoisotopic Mass: 336.9513239
• SMILES: S(=O)(=O)(c1sc(c(c1)Cl)Cl)N1Cc2n(cnc2)CC1
• Canonical SMILES: Clc1sc(cc1Cl)S(=O)(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C10H9Cl2N3O2S2/c11-8-3-9(18-10(8)12)19(16,17)15-2-1-14-6-13-4-7(14)5-15/h3-4,6H,1-2,5H2
• InChIKey: YDPWFESIGSPCEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4,5-dichlorothiophen-2-yl)sulfonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(4,5-dichlorothiophen-2-ylsulfonyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[(4,5-dichloro-2-thienyl)sulfonyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.45401
• LogD (pH = 7.4): 1.8940793
• Log P: 1.9253073
• Molar Refractivity: 73.4171 cm^3
• Polarizability: 29.590792 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: 2.21
• LOG S: -3.55
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 1