3-methoxy-6-{3-[1-(3-methoxypropyl)-1H-pyrazol-3-yl]phenyl}pyridazine

• ChemBase ID: 633874
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(ccn1CCCOC)c1cc(c2nnc(cc2)OC)ccc1
• Canonical SMILES: COCCCn1ccc(n1)c1cccc(c1)c1ccc(nn1)OC
• InChI: InChI=1S/C18H20N4O2/c1-23-12-4-10-22-11-9-17(21-22)15-6-3-5-14(13-15)16-7-8-18(24-2)20-19-16/h3,5-9,11,13H,4,10,12H2,1-2H3
• InChIKey: VFTNSYCHANQUMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-{3-[1-(3-methoxypropyl)-1H-pyrazol-3-yl]phenyl}pyridazine
• IUPAC Traditional name: 3-methoxy-6-{3-[1-(3-methoxypropyl)pyrazol-3-yl]phenyl}pyridazine
• Synonyms: 3-methoxy-6-{3-[1-(3-methoxypropyl)-1H-pyrazol-3-yl]phenyl}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7194645
• LogD (pH = 7.4): 2.7195837
• Log P: 2.7195854
• Molar Refractivity: 104.8818 cm^3
• Polarizability: 37.78043 Å^3
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.44
• LOG S: -3.65
• Polar Surface Area: 62.06 Å^2
• Rotatable Bonds: 7