5-methoxy-9-(3-methoxypyrazin-2-yl)-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 570583
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(N2CCC3(CC2)OCCCC3OC)c(nccn1)OC
• Canonical SMILES: COC1CCCOC21CCN(CC2)c1nccnc1OC
• InChI: InChI=1S/C15H23N3O3/c1-19-12-4-3-11-21-15(12)5-9-18(10-6-15)13-14(20-2)17-8-7-16-13/h7-8,12H,3-6,9-11H2,1-2H3
• InChIKey: ADRWDAALMYNXBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-(3-methoxypyrazin-2-yl)-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-(3-methoxypyrazin-2-yl)-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-(3-methoxypyrazin-2-yl)-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.98067915
• LogD (pH = 7.4): 0.9807318
• Log P: 0.98073244
• Molar Refractivity: 79.8828 cm^3
• Polarizability: 30.574839 Å^3
• Polar Surface Area: 56.71 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: 2.15
• LOG S: -3.18
• Polar Surface Area: 56.71 Å^2
• Rotatable Bonds: 3