7-[2-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 740972
• Molecular Formular: C16H16N8O2
• Molecular Mass: 352.35064
• Monoisotopic Mass: 352.13962179
• SMILES: c1(n2c(nc1)CN(C(=O)C(n1nnnc1)c1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(C(n1cnnn1)c1ccccc1)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H16N8O2/c17-15(25)12-8-18-13-9-22(6-7-23(12)13)16(26)14(24-10-19-20-21-24)11-4-2-1-3-5-11/h1-5,8,10,14H,6-7,9H2,(H2,17,25)
• InChIKey: IXCZTLPJCKNOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-phenyl-2-(1H-1,2,3,4-tetrazol-1-yl)acetyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-phenyl-2-(1,2,3,4-tetrazol-1-yl)acetyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[phenyl(1H-tetrazol-1-yl)acetyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872583
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.1190397
• LogD (pH = 7.4): -1.0908773
• Log P: -1.0905039
• Molar Refractivity: 104.3707 cm^3
• Polarizability: 34.023476 Å^3
• Polar Surface Area: 124.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.86
• LOG S: -2.5
• Polar Surface Area: 124.82 Å^2
• Rotatable Bonds: 4