5-methoxy-9-[6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 709323
• Molecular Formular: C18H25N5O2
• Molecular Mass: 343.4234
• Monoisotopic Mass: 343.20082507
• SMILES: c1(c2nnc(N3CCC4(CC3)OCCCC4OC)cc2)n(ccn1)C
• Canonical SMILES: COC1CCCOC21CCN(CC2)c1ccc(nn1)c1nccn1C
• InChI: InChI=1S/C18H25N5O2/c1-22-12-9-19-17(22)14-5-6-16(21-20-14)23-10-7-18(8-11-23)15(24-2)4-3-13-25-18/h5-6,9,12,15H,3-4,7-8,10-11,13H2,1-2H3
• InChIKey: RJIRKMLHEDEFQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-[6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-[6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.2957076
• LogD (pH = 7.4): 1.2976505
• Log P: 1.2976753
• Molar Refractivity: 107.7074 cm^3
• Polarizability: 36.88352 Å^3
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.0
• LOG S: -2.56
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 3