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

• ChemBase ID: 440266
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)Nc1c(OCC2OCCC2)cccc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N(C)C)Nc1ccccc1OCC1CCCO1
• InChI: InChI=1S/C19H24N4O4/c1-22(2)14-10-19(25)23(20-11-14)12-18(24)21-16-7-3-4-8-17(16)27-13-15-6-5-9-26-15/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3,(H,21,24)
• InChIKey: GKJPYZABHIQCAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[2-(tetrahydro-2-furanylmethoxy)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.47258
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.77552885
• LogD (pH = 7.4): 0.7754933
• Log P: 0.7755294
• Molar Refractivity: 103.6316 cm^3
• Polarizability: 38.25149 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.24
• LOG S: -3.02
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 7