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

• ChemBase ID: 534137
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: N1(c2nnc(cc2)C)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1ccc(nn1)C
• InChI: InChI=1S/C15H17N3O2/c1-11-7-8-15(17-16-11)18-9-12(10-18)20-14-6-4-3-5-13(14)19-2/h3-8,12H,9-10H2,1-2H3
• InChIKey: UJGRSGYKERIIIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9537615
• LogD (pH = 7.4): 1.9838973
• Log P: 1.9842955
• Molar Refractivity: 77.8146 cm^3
• Polarizability: 29.035995 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -2.28
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 4