3-methoxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}propanamide

• ChemBase ID: 323352
• Molecular Formular: C15H24N4O4
• Molecular Mass: 324.37546
• Monoisotopic Mass: 324.17975527
• SMILES: c1c(N2CC(OCC2)CCNC(=O)CCOC)cnn(c1=O)C
• Canonical SMILES: COCCC(=O)NCCC1OCCN(C1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C15H24N4O4/c1-18-15(21)9-12(10-17-18)19-6-8-23-13(11-19)3-5-16-14(20)4-7-22-2/h9-10,13H,3-8,11H2,1-2H3,(H,16,20)
• InChIKey: IOEVSNMEMVAHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)morpholin-2-yl]ethyl}propanamide
• IUPAC Traditional name: 3-methoxy-N-{2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl}propanamide
• Synonyms: 3-methoxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.481864
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.4116943
• LogD (pH = 7.4): -1.4116932
• Log P: -1.4116932
• Molar Refractivity: 86.7083 cm^3
• Polarizability: 32.41385 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: -1.05
• LOG S: -1.98
• Polar Surface Area: 85.69 Å^2
• Rotatable Bonds: 7