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

• ChemBase ID: 741778
• Molecular Formular: C29H32N2O5
• Molecular Mass: 488.57478
• Monoisotopic Mass: 488.23112213
• SMILES: C12(N(C(=O)CC1C(=O)OC)OCc1cc3c(cc1)cccc3)CCN(Cc1c(OC)cccc1)CC2
• Canonical SMILES: COC(=O)C1CC(=O)N(C21CCN(CC2)Cc1ccccc1OC)OCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C29H32N2O5/c1-34-26-10-6-5-9-24(26)19-30-15-13-29(14-16-30)25(28(33)35-2)18-27(32)31(29)36-20-21-11-12-22-7-3-4-8-23(22)17-21/h3-12,17,25H,13-16,18-20H2,1-2H3
• InChIKey: HSVFTFLPQHBUMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.857113
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0856253
• LogD (pH = 7.4): 2.8495774
• Log P: 3.5510423
• Molar Refractivity: 136.8391 cm^3
• Polarizability: 54.76947 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.1
• LOG S: -6.26
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8