N-cyclooctyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 866020
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)NC1CCCCCCC1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N(C)C)NC1CCCCCCC1
• InChI: InChI=1S/C16H26N4O2/c1-19(2)14-10-16(22)20(17-11-14)12-15(21)18-13-8-6-4-3-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,18,21)
• InChIKey: CFRINSCIXZDFDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3312435
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1854507
• LogD (pH = 7.4): 1.185451
• Log P: 1.185451
• Molar Refractivity: 87.5715 cm^3
• Polarizability: 32.795654 Å^3
• Polar Surface Area: 65.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -2.84
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4