1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(furan-2-yl)ethane-1,2-dione

• ChemBase ID: 858289
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)C(=O)c2occc2)CC1
• Canonical SMILES: O=C(C(=O)c1ccco1)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C20H26N2O4/c23-17(16-8-4-13-26-16)18(24)21-12-10-20(14-21)9-5-11-22(19(20)25)15-6-2-1-3-7-15/h4,8,13,15H,1-3,5-7,9-12,14H2
• InChIKey: RXYJQEGSECXYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(furan-2-yl)ethane-1,2-dione
• IUPAC Traditional name: 1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-(furan-2-yl)ethane-1,2-dione
• Synonyms: 7-cyclohexyl-2-[2-furyl(oxo)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9423213
• LogD (pH = 7.4): 1.9423232
• Log P: 1.9423232
• Molar Refractivity: 95.8893 cm^3
• Polarizability: 36.989872 Å^3
• Polar Surface Area: 70.83 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: 1.29
• LOG S: -2.92
• Polar Surface Area: 70.83 Å^2
• Rotatable Bonds: 3