7-(2-methoxyethyl)-2-(6-methyl-4-oxo-4H-pyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 410287
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: c1(C(=O)N2CC3(C(=O)N(CCC3)CCOC)CC2)cc(=O)cc(o1)C
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cc(=O)cc(o1)C
• InChI: InChI=1S/C18H24N2O5/c1-13-10-14(21)11-15(25-13)16(22)20-7-5-18(12-20)4-3-6-19(17(18)23)8-9-24-2/h10-11H,3-9,12H2,1-2H3
• InChIKey: CRJHWWKCELEAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(6-methyl-4-oxo-4H-pyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(6-methyl-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.033778872
• LogD (pH = 7.4): -0.03377819
• Log P: -0.033778183
• Molar Refractivity: 94.3319 cm^3
• Polarizability: 35.15932 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.56
• LOG S: -2.57
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 4