2-(5-methoxy-4-oxo-4H-pyran-2-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 839876
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)c2cc(=O)c(co2)OC)CC1
• Canonical SMILES: COc1coc(cc1=O)C(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C18H24N2O5/c1-12(2)20-7-4-5-18(17(20)23)6-8-19(11-18)16(22)14-9-13(21)15(24-3)10-25-14/h9-10,12H,4-8,11H2,1-3H3
• InChIKey: IMTPQNFINFRZIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-4-oxo-4H-pyran-2-carbonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-(5-methoxy-4-oxopyran-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-[(5-methoxy-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): 0.45050988
• LogD (pH = 7.4): 0.45051062
• Log P: 0.45051065
• Molar Refractivity: 93.3553 cm^3
• Polarizability: 35.15932 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.28
• LOG S: -2.81
• Polar Surface Area: 80.06 Å^2
• Rotatable Bonds: 3