3-(2-oxo-2-{2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethyl)imidazolidine-2,4-dione

• ChemBase ID: 482520
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1CCC2(NC(=O)C(C2)c2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CC(C(=O)N2)c1ccccc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C19H22N4O4/c24-15-11-20-18(27)23(15)12-16(25)22-8-6-19(7-9-22)10-14(17(26)21-19)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,20,27)(H,21,26)
• InChIKey: ZGQZWHLBSJGCSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxo-2-{2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2-oxo-2-{2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}ethyl)imidazolidine-2,4-dione
• Synonyms: 3-[2-oxo-2-(2-oxo-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)ethyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.106787
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2505654
• LogD (pH = 7.4): -1.2505736
• Log P: -1.2505653
• Molar Refractivity: 95.923 cm^3
• Polarizability: 36.993362 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.14
• LOG S: -2.24
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 3