5-(3-{3-[(2-fluorophenyl)methoxy]azetidin-1-yl}-3-oxopropyl)imidazolidine-2,4-dione

• ChemBase ID: 695076
• Molecular Formular: C16H18FN3O4
• Molecular Mass: 335.3302232
• Monoisotopic Mass: 335.12813429
• SMILES: N1C(=O)NC(C1=O)CCC(=O)N1CC(C1)OCc1c(F)cccc1
• Canonical SMILES: O=C1NC(=O)C(N1)CCC(=O)N1CC(C1)OCc1ccccc1F
• InChI: InChI=1S/C16H18FN3O4/c17-12-4-2-1-3-10(12)9-24-11-7-20(8-11)14(21)6-5-13-15(22)19-16(23)18-13/h1-4,11,13H,5-9H2,(H2,18,19,22,23)
• InChIKey: KCKUCUYJNVIRPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-{3-[(2-fluorophenyl)methoxy]azetidin-1-yl}-3-oxopropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(3-{3-[(2-fluorophenyl)methoxy]azetidin-1-yl}-3-oxopropyl)imidazolidine-2,4-dione
• Synonyms: 5-(3-{3-[(2-fluorobenzyl)oxy]-1-azetidinyl}-3-oxopropyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 9.636284
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.11421284
• LogD (pH = 7.4): 0.111759715
• Log P: 0.11424426
• Molar Refractivity: 81.5197 cm^3
• Polarizability: 31.427898 Å^3
• Polar Surface Area: 87.74 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 2
• Log P: -0.02
• LOG S: -2.94
• Polar Surface Area: 87.74 Å^2