3-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}imidazolidine-2,4-dione

• ChemBase ID: 399966
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C17H24N4O4/c22-13-8-18-16(25)21(13)10-14(23)20-7-5-17(11-20)4-1-6-19(15(17)24)9-12-2-3-12/h12H,1-11H2,(H,18,25)
• InChIKey: OKMLLRQKLTVSCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 3-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}imidazolidine-2,4-dione
• Synonyms: 3-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-2-oxoethyl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.906332
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3756667
• LogD (pH = 7.4): -1.3756787
• Log P: -1.3756653
• Molar Refractivity: 88.1979 cm^3
• Polarizability: 34.089348 Å^3
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.67
• LOG S: -2.48
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 4