3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(pyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 331673
• Molecular Formular: C22H23FN4O3
• Molecular Mass: 410.4414232
• Monoisotopic Mass: 410.17541884
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2ncccc2)CC1)C)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CN1C(=O)NC(C1=O)(C)C1CCN(CC1)C(=O)c1ccccn1
• InChI: InChI=1S/C22H23FN4O3/c1-22(16-9-12-26(13-10-16)19(28)18-4-2-3-11-24-18)20(29)27(21(30)25-22)14-15-5-7-17(23)8-6-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,25,30)
• InChIKey: OAWUZVRAWAFOGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(pyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(pyridine-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 3-(4-fluorobenzyl)-5-methyl-5-[1-(2-pyridinylcarbonyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.623424
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0219874
• LogD (pH = 7.4): 2.0217495
• Log P: 2.0220063
• Molar Refractivity: 107.9123 cm^3
• Polarizability: 40.962536 Å^3
• Polar Surface Area: 82.61 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: 1.26
• LOG S: -5.83
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 4