3-[3-(2-ethylphenoxy)azetidin-1-yl]-6-methylpyridazine

• ChemBase ID: 761638
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: N1(c2nnc(cc2)C)CC(C1)Oc1c(CC)cccc1
• Canonical SMILES: CCc1ccccc1OC1CN(C1)c1ccc(nn1)C
• InChI: InChI=1S/C16H19N3O/c1-3-13-6-4-5-7-15(13)20-14-10-19(11-14)16-9-8-12(2)17-18-16/h4-9,14H,3,10-11H2,1-2H3
• InChIKey: OEFTXXZVCLORIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-ethylphenoxy)azetidin-1-yl]-6-methylpyridazine
• IUPAC Traditional name: 3-[3-(2-ethylphenoxy)azetidin-1-yl]-6-methylpyridazine
• Synonyms: 3-[3-(2-ethylphenoxy)-1-azetidinyl]-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0694227
• LogD (pH = 7.4): 3.0995586
• Log P: 3.0999568
• Molar Refractivity: 80.9936 cm^3
• Polarizability: 30.119799 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -3.27
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4