9-(dimethoxy-1,3,5-triazin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 859898
• Molecular Formular: C14H22N4O3
• Molecular Mass: 294.34948
• Monoisotopic Mass: 294.16919058
• SMILES: c1(nc(nc(n1)OC)OC)N1CCC2(CC1)CCOCC2
• Canonical SMILES: COc1nc(nc(n1)OC)N1CCC2(CC1)CCOCC2
• InChI: InChI=1S/C14H22N4O3/c1-19-12-15-11(16-13(17-12)20-2)18-7-3-14(4-8-18)5-9-21-10-6-14/h3-10H2,1-2H3
• InChIKey: WEIFRDGTFBRBBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(dimethoxy-1,3,5-triazin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-(dimethoxy-1,3,5-triazin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.2996538
• LogD (pH = 7.4): 2.2997067
• Log P: 2.2997074
• Molar Refractivity: 80.4296 cm^3
• Polarizability: 29.716074 Å^3
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.01
• LOG S: -1.35
• Polar Surface Area: 69.6 Å^2
• Rotatable Bonds: 3