3-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase ID: 315101
• Molecular Formular: C16H18FN3O4
• Molecular Mass: 335.3302232
• Monoisotopic Mass: 335.12813429
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1CC(OCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC1OCCN(C1)C(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C16H18FN3O4/c17-12-3-1-11(2-4-12)7-13-9-19(5-6-24-13)15(22)10-20-14(21)8-18-16(20)23/h1-4,13H,5-10H2,(H,18,23)
• InChIKey: PPBMCIVHMKVKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)imidazolidine-2,4-dione
• Synonyms: 3-{2-[2-(4-fluorobenzyl)-4-morpholinyl]-2-oxoethyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.942375
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.111048855
• LogD (pH = 7.4): -0.111061014
• Log P: -0.1110487
• Molar Refractivity: 81.9717 cm^3
• Polarizability: 31.431416 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -2.06
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4