1-{4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl}imidazolidine-2,4-dione

• ChemBase ID: 439379
• Molecular Formular: C17H22N4O4
• Molecular Mass: 346.38098
• Monoisotopic Mass: 346.1641052
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N2CCN(CC2)CCOC)cc1
• Canonical SMILES: COCCN1CCN(CC1)C(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C17H22N4O4/c1-25-11-10-19-6-8-20(9-7-19)16(23)13-2-4-14(5-3-13)21-12-15(22)18-17(21)24/h2-5H,6-12H2,1H3,(H,18,22,24)
• InChIKey: UIVCXPXOSKDPLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 1-{4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• Synonyms: 1-(4-{[4-(2-methoxyethyl)-1-piperazinyl]carbonyl}phenyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.066624
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7478406
• LogD (pH = 7.4): -0.5685038
• Log P: -0.47044945
• Molar Refractivity: 91.6858 cm^3
• Polarizability: 34.808567 Å^3
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.52
• LOG S: -1.74
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 5