5,5-dimethyl-1-{2-oxo-2-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]ethyl}imidazolidine-2,4-dione

• ChemBase ID: 837870
• Molecular Formular: C18H28N4O4
• Molecular Mass: 364.43932
• Monoisotopic Mass: 364.2110554
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N1CC2(C(=O)N(C(C)C)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C(C)C)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C18H28N4O4/c1-12(2)21-8-5-6-18(15(21)25)7-9-20(11-18)13(23)10-22-16(26)19-14(24)17(22,3)4/h12H,5-11H2,1-4H3,(H,19,24,26)
• InChIKey: MKYROOYWFHIRKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-1-{2-oxo-2-[6-oxo-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]ethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 1-(2-{7-isopropyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 1-[2-(7-isopropyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.38133967
• LogD (pH = 7.4): -0.38210177
• Log P: -0.38132942
• Molar Refractivity: 94.6305 cm^3
• Polarizability: 36.626705 Å^3
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.47
• LOG S: -2.26
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 3