2-(2-methoxyethoxy)-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}acetamide

• ChemBase ID: 624937
• Molecular Formular: C15H24N4O4
• Molecular Mass: 324.37546
• Monoisotopic Mass: 324.17975527
• SMILES: c1c(N2CC(CNC(=O)COCCOC)CC2)cnn(c1=O)C
• Canonical SMILES: COCCOCC(=O)NCC1CCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C15H24N4O4/c1-18-15(21)7-13(9-17-18)19-4-3-12(10-19)8-16-14(20)11-23-6-5-22-2/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,16,20)
• InChIKey: WMBVJJRZLLTXJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)-N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)pyrrolidin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2-methoxyethoxy)-N-{[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl}acetamide
• Synonyms: 2-(2-methoxyethoxy)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.196274
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.5311586
• LogD (pH = 7.4): -1.5311575
• Log P: -1.5311574
• Molar Refractivity: 86.9925 cm^3
• Polarizability: 32.41385 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.8
• LOG S: -1.34
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 8