methyl 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 375290
• Molecular Formular: C30H32N2O5
• Molecular Mass: 500.58548
• Monoisotopic Mass: 500.23112213
• SMILES: C12(N(C(=O)CC1C(=O)OC)OCc1cc3c(cc1)cccc3)CCN(CC2)Cc1cc2c(OCC2)cc1
• Canonical SMILES: COC(=O)C1CC(=O)N(C21CCN(CC2)Cc1ccc2c(c1)CCO2)OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C30H32N2O5/c1-35-29(34)26-18-28(33)32(37-20-22-6-8-23-4-2-3-5-24(23)17-22)30(26)11-13-31(14-12-30)19-21-7-9-27-25(16-21)10-15-36-27/h2-9,16-17,26H,10-15,18-20H2,1H3
• InChIKey: NDJXHZQDRYSVPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(naphthalen-2-ylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-naphthylmethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Polarizability: 55.801414 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false
• Acid pKa: 18.857113
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.94478726
• LogD (pH = 7.4): 2.7188969
• Log P: 3.5909307
• Molar Refractivity: 140.1487 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 7
• H Acceptors: 6
• H Donor: 0
• Log P: 4.1
• LOG S: -6.35