7-{8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 349223
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: c12oc3c(c1cccc2CN1Cc2n(cnc2)CC1)cccc3
• Canonical SMILES: c1ccc2c(c1)c1cccc(c1o2)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C19H17N3O/c1-2-7-18-16(5-1)17-6-3-4-14(19(17)23-18)11-21-8-9-22-13-20-10-15(22)12-21/h1-7,10,13H,8-9,11-12H2
• InChIKey: CXRIRVHSLRSXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-(dibenzo[b,d]furan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.970483
• LogD (pH = 7.4): 2.3670378
• Log P: 2.6707993
• Molar Refractivity: 90.1421 cm^3
• Polarizability: 36.802242 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.73
• LOG S: -3.85
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 2