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

• ChemBase ID: 384784
• Molecular Formular: C19H24FN3O2
• Molecular Mass: 345.4111632
• Monoisotopic Mass: 345.18525524
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccc(F)cc1)C1CCNCC1)CCC=C
• Canonical SMILES: C=CCCN1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCNCC1
• InChI: InChI=1S/C19H24FN3O2/c1-2-3-12-23-17(24)19(22-18(23)25,15-8-10-21-11-9-15)13-14-4-6-16(20)7-5-14/h2,4-7,15,21H,1,3,8-13H2,(H,22,25)
• InChIKey: ZCLFOLWSVSDGOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(but-3-en-1-yl)-5-[(4-fluorophenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(but-3-en-1-yl)-5-[(4-fluorophenyl)methyl]-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-but-3-en-1-yl-5-(4-fluorobenzyl)-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.053121
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8796187
• LogD (pH = 7.4): -0.2093917
• Log P: 1.9707602
• Molar Refractivity: 94.1289 cm^3
• Polarizability: 36.183372 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.88
• LOG S: -4.18
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6