methyl 2-[8-(furan-3-ylmethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

• ChemBase ID: 705203
• Molecular Formular: C18H25N3O6
• Molecular Mass: 379.4076
• Monoisotopic Mass: 379.17433554
• SMILES: N1(C(=O)N(C2(C1=O)CCN(Cc1cocc1)CC2)CCOC)CC(=O)OC
• Canonical SMILES: COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1cocc1)CC(=O)OC
• InChI: InChI=1S/C18H25N3O6/c1-25-10-8-21-17(24)20(12-15(22)26-2)16(23)18(21)4-6-19(7-5-18)11-14-3-9-27-13-14/h3,9,13H,4-8,10-12H2,1-2H3
• InChIKey: QWMIOFBZOMYCMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[8-(furan-3-ylmethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• IUPAC Traditional name: methyl 2-[8-(furan-3-ylmethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
• Synonyms: methyl [8-(3-furylmethyl)-1-(2-methoxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]dec-3-yl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.932963
• LogD (pH = 7.4): -1.1588721
• Log P: -0.30629456
• Molar Refractivity: 95.3536 cm^3
• Polarizability: 37.053154 Å^3
• Polar Surface Area: 92.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.72
• LOG S: -0.65
• Polar Surface Area: 92.53 Å^2
• Rotatable Bonds: 6