2-benzyl-8-(furan-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 795246
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1cocc1)CCC2)Cc1ccccc1
• Canonical SMILES: O=C1CCC2(CN1Cc1ccccc1)CCCN(C2)Cc1cocc1
• InChI: InChI=1S/C21H26N2O2/c24-20-7-10-21(17-23(20)14-18-5-2-1-3-6-18)9-4-11-22(16-21)13-19-8-12-25-15-19/h1-3,5-6,8,12,15H,4,7,9-11,13-14,16-17H2
• InChIKey: UQFBLZSKCCQZCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-8-(furan-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-benzyl-8-(furan-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-benzyl-8-(3-furylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.02913005
• LogD (pH = 7.4): 1.7942562
• Log P: 2.819812
• Molar Refractivity: 98.7348 cm^3
• Polarizability: 38.31721 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.14
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4