2-(2,5-dioxoimidazolidin-4-yl)-N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}acetamide

• ChemBase ID: 585925
• Molecular Formular: C17H15FN4O4
• Molecular Mass: 358.3238032
• Monoisotopic Mass: 358.1077332
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCc1c(Oc2c(F)cccc2)nccc1
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C17H15FN4O4/c18-11-5-1-2-6-13(11)26-16-10(4-3-7-19-16)9-20-14(23)8-12-15(24)22-17(25)21-12/h1-7,12H,8-9H2,(H,20,23)(H2,21,22,24,25)
• InChIKey: KLRMWNQRMPQQQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.603431
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.63762414
• LogD (pH = 7.4): 0.6350328
• Log P: 0.63771266
• Molar Refractivity: 87.5207 cm^3
• Polarizability: 33.519577 Å^3
• Polar Surface Area: 109.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.61
• LOG S: -2.6
• Polar Surface Area: 109.42 Å^2
• Rotatable Bonds: 6