3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-b]pyridazine

• ChemBase ID: 449924
• Molecular Formular: C15H15N3O
• Molecular Mass: 253.2991
• Monoisotopic Mass: 253.12151212
• SMILES: n12c(cnc1cccn2)c1ccc(cc1)C(OC)C
• Canonical SMILES: COC(c1ccc(cc1)c1cnc2n1nccc2)C
• InChI: InChI=1S/C15H15N3O/c1-11(19-2)12-5-7-13(8-6-12)14-10-16-15-4-3-9-17-18(14)15/h3-11H,1-2H3
• InChIKey: DQMPWHLWTVMHFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-b]pyridazine
• Synonyms: 3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-b]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5106652
• LogD (pH = 7.4): 2.512527
• Log P: 2.5125508
• Molar Refractivity: 84.7732 cm^3
• Polarizability: 29.568024 Å^3
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.04
• LOG S: -2.79
• Polar Surface Area: 39.42 Å^2
• Rotatable Bonds: 3