8-[4-(furan-2-yl)benzoyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 317145
• Molecular Formular: C20H22N2O4
• Molecular Mass: 354.39968
• Monoisotopic Mass: 354.15795719
• SMILES: N1(C2(CCN(C(=O)c3ccc(c4occc4)cc3)CC2)CCC1=O)OC
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)C(=O)c1ccc(cc1)c1ccco1
• InChI: InChI=1S/C20H22N2O4/c1-25-22-18(23)8-9-20(22)10-12-21(13-11-20)19(24)16-6-4-15(5-7-16)17-3-2-14-26-17/h2-7,14H,8-13H2,1H3
• InChIKey: KGVXBVMRPICYSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[4-(furan-2-yl)benzoyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[4-(furan-2-yl)benzoyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[4-(2-furyl)benzoyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5342852
• LogD (pH = 7.4): 1.5342853
• Log P: 1.5342853
• Molar Refractivity: 96.3143 cm^3
• Polarizability: 37.995586 Å^3
• Polar Surface Area: 62.99 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: 0.87
• LOG S: -2.53
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 3