4-[(3-{imidazo[1,2-b]pyridazin-3-yl}phenyl)methyl]morpholine

• ChemBase ID: 629368
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: n12c(cnc1cccn2)c1cc(CN2CCOCC2)ccc1
• Canonical SMILES: O1CCN(CC1)Cc1cccc(c1)c1cnc2n1nccc2
• InChI: InChI=1S/C17H18N4O/c1-3-14(13-20-7-9-22-10-8-20)11-15(4-1)16-12-18-17-5-2-6-19-21(16)17/h1-6,11-12H,7-10,13H2
• InChIKey: PWJVXMUUGKEPNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-{imidazo[1,2-b]pyridazin-3-yl}phenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(3-{imidazo[1,2-b]pyridazin-3-yl}phenyl)methyl]morpholine
• Synonyms: 3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4671717
• LogD (pH = 7.4): 1.8075182
• Log P: 1.9430954
• Molar Refractivity: 96.4045 cm^3
• Polarizability: 34.04619 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.91
• LOG S: -1.12
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3