7-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 842272
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: c1(c(nc(cc1C)C)OC)CN1C(=O)CCC2(C1)COCC2
• Canonical SMILES: COc1nc(C)cc(c1CN1CC2(COCC2)CCC1=O)C
• InChI: InChI=1S/C17H24N2O3/c1-12-8-13(2)18-16(21-3)14(12)9-19-10-17(5-4-15(19)20)6-7-22-11-17/h8H,4-7,9-11H2,1-3H3
• InChIKey: MOEGKKJYBJERHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2823644
• LogD (pH = 7.4): 1.3084667
• Log P: 1.3088101
• Molar Refractivity: 84.2847 cm^3
• Polarizability: 32.50655 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -3.58
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3