3-{2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl}imidazolidine-2,4-dione

• ChemBase ID: 787562
• Molecular Formular: C17H26N4O5
• Molecular Mass: 366.41214
• Monoisotopic Mass: 366.19031995
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)C(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C17H26N4O5/c1-26-8-2-5-20-12-17(9-13(20)22)3-6-19(7-4-17)15(24)11-21-14(23)10-18-16(21)25/h2-12H2,1H3,(H,18,25)
• InChIKey: FCFHALIOKLHZRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 3-{2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl}imidazolidine-2,4-dione
• Synonyms: 3-{2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]-2-oxoethyl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.170418
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.655193
• LogD (pH = 7.4): -2.6552
• Log P: -2.6551926
• Molar Refractivity: 92.113 cm^3
• Polarizability: 35.542038 Å^3
• Polar Surface Area: 99.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.44
• LOG S: -1.95
• Polar Surface Area: 99.26 Å^2
• Rotatable Bonds: 6