1-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 735137
• Molecular Formular: C19H28N4O4
• Molecular Mass: 376.45002
• Monoisotopic Mass: 376.2110554
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C19H28N4O4/c1-18(2)15(25)20-17(27)23(18)11-14(24)22-9-7-19(12-22)6-3-8-21(16(19)26)10-13-4-5-13/h13H,3-12H2,1-2H3,(H,20,25,27)
• InChIKey: VRYZMOSHFBQAHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-{2-[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 1-{2-[7-(cyclopropylmethyl)-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): -0.37414616
• LogD (pH = 7.4): -0.37490746
• Log P: -0.37413514
• Molar Refractivity: 97.4051 cm^3
• Polarizability: 37.74299 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: 0.49
• LOG S: -2.36
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 4