8-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 686714
• Molecular Formular: C20H22N2O4
• Molecular Mass: 354.39968
• Monoisotopic Mass: 354.15795719
• SMILES: C1(=O)OC2(CCN(Cc3ccc(OCc4ncccc4)cc3)CC2)CO1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)Cc1ccc(cc1)OCc1ccccn1
• InChI: InChI=1S/C20H22N2O4/c23-19-25-15-20(26-19)8-11-22(12-9-20)13-16-4-6-18(7-5-16)24-14-17-3-1-2-10-21-17/h1-7,10H,8-9,11-15H2
• InChIKey: FZYAZXUBJHZRRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{[4-(pyridin-2-ylmethoxy)phenyl]methyl}-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-[4-(pyridin-2-ylmethoxy)benzyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.42995
• LogD (pH = 7.4): 1.3240515
• Log P: 2.4759638
• Molar Refractivity: 95.4174 cm^3
• Polarizability: 37.79862 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.56
• LOG S: -0.81
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 5