methyl 8-(furan-3-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 700368
• Molecular Formular: C26H28N2O5
• Molecular Mass: 448.51092
• Monoisotopic Mass: 448.19982201
• SMILES: C12(N(C(=O)CC1C(=O)OC)OCc1cc3c(cc1)cccc3)CCN(Cc1cocc1)CC2
• Canonical SMILES: COC(=O)C1CC(=O)N(C21CCN(CC2)Cc1cocc1)OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C26H28N2O5/c1-31-25(30)23-15-24(29)28(33-18-19-6-7-21-4-2-3-5-22(21)14-19)26(23)9-11-27(12-10-26)16-20-8-13-32-17-20/h2-8,13-14,17,23H,9-12,15-16,18H2,1H3
• InChIKey: HWDMJJHRXZJWQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 8-(furan-3-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 8-(furan-3-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 8-(3-furylmethyl)-1-(2-naphthylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.857113
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.51766294
• LogD (pH = 7.4): 2.2603226
• Log P: 2.848959
• Molar Refractivity: 122.8893 cm^3
• Polarizability: 49.110104 Å^3
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.34
• LOG S: -5.32
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 7