2-{[2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl)ethyl]amino}-N-(pyrazin-2-yl)acetamide

• ChemBase ID: 413225
• Molecular Formular: C18H20N6O2
• Molecular Mass: 352.3904
• Monoisotopic Mass: 352.16477391
• SMILES: N1=C(CCC(=O)N1CCNCC(=O)Nc1nccnc1)c1ccccc1
• Canonical SMILES: O=C(Nc1cnccn1)CNCCN1N=C(CCC1=O)c1ccccc1
• InChI: InChI=1S/C18H20N6O2/c25-17(22-16-12-19-8-9-21-16)13-20-10-11-24-18(26)7-6-15(23-24)14-4-2-1-3-5-14/h1-5,8-9,12,20H,6-7,10-11,13H2,(H,21,22,25)
• InChIKey: YASKIYKVGYQBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl)ethyl]amino}-N-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: 2-{[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]amino}-N-(pyrazin-2-yl)acetamide
• Synonyms: 2-{[2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)ethyl]amino}-N-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.33784
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.0618367
• LogD (pH = 7.4): -0.42954025
• Log P: -0.06701553
• Molar Refractivity: 97.6161 cm^3
• Polarizability: 36.802 Å^3
• Polar Surface Area: 99.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.65
• LOG S: -2.33
• Polar Surface Area: 99.58 Å^2
• Rotatable Bonds: 7