5-(2-oxo-2-{2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}ethyl)imidazolidine-2,4-dione

• ChemBase ID: 821706
• Molecular Formular: C17H18N4O4
• Molecular Mass: 342.34922
• Monoisotopic Mass: 342.13280508
• SMILES: N1C(=O)NC(C1=O)CC(=O)N1CCC2(C(=O)Nc3c2cccc3)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)CC(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C17H18N4O4/c22-13(9-12-14(23)20-16(25)19-12)21-7-5-17(6-8-21)10-3-1-2-4-11(10)18-15(17)24/h1-4,12H,5-9H2,(H,18,24)(H2,19,20,23,25)
• InChIKey: DLRFGWABXUOYOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-oxo-2-{2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-yl}ethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2-oxo-2-{2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-yl}ethyl)imidazolidine-2,4-dione
• Synonyms: 5-[2-oxo-2-(2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)ethyl]imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.627085
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6589057
• LogD (pH = 7.4): -0.66141117
• Log P: -0.6588736
• Molar Refractivity: 88.3882 cm^3
• Polarizability: 33.32296 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.18
• LOG S: -2.85
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 2