7-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 820608
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: N1(C(=O)c2cc(c(cc2)OCC=C)OCC)Cc2n(cnc2)CC1
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C18H21N3O3/c1-3-9-24-16-6-5-14(10-17(16)23-4-2)18(22)20-7-8-21-13-19-11-15(21)12-20/h3,5-6,10-11,13H,1,4,7-9,12H2,2H3
• InChIKey: UWFDXNLNWPIVQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-[3-ethoxy-4-(prop-2-en-1-yloxy)benzoyl]-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-[4-(allyloxy)-3-ethoxybenzoyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1490062
• LogD (pH = 7.4): 1.5903013
• Log P: 1.6221088
• Molar Refractivity: 92.1401 cm^3
• Polarizability: 34.689117 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.93
• LOG S: -3.24
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6