2-methoxy-3-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrazine

• ChemBase ID: 345567
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: N1(c2c(nccn2)OC)CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)c1nccnc1OC
• InChI: InChI=1S/C15H17N3O3/c1-19-12-5-3-4-6-13(12)21-11-9-18(10-11)14-15(20-2)17-8-7-16-14/h3-8,11H,9-10H2,1-2H3
• InChIKey: GHOLEMZLRPZUTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.0517614
• LogD (pH = 7.4): 2.0518086
• Log P: 2.051809
• Molar Refractivity: 77.9796 cm^3
• Polarizability: 29.805134 Å^3
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.5
• LOG S: -3.43
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 5