3-(2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase ID: 698909
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1CC2(CN(C(=O)CC2)C2CC2)CCC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)C1CC1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C17H24N4O4/c22-13-4-6-17(11-21(13)12-2-3-12)5-1-7-19(10-17)15(24)9-20-14(23)8-18-16(20)25/h12H,1-11H2,(H,18,25)
• InChIKey: JXTYEMJSACSQRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2-{8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• Synonyms: 3-[2-(8-cyclopropyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.188446
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6021366
• LogD (pH = 7.4): -1.6021433
• Log P: -1.6021363
• Molar Refractivity: 87.8623 cm^3
• Polarizability: 34.089348 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: -0.94
• LOG S: -2.25
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 3