5-[(3-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(2-methylpropyl)imidazolidine-2,4-dione

• ChemBase ID: 428320
• Molecular Formular: C24H30FN3O3
• Molecular Mass: 427.5117032
• Monoisotopic Mass: 427.22712006
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(Cc2cocc2)CC1)CC(C)C
• Canonical SMILES: CC(CN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)Cc1cocc1)C
• InChI: InChI=1S/C24H30FN3O3/c1-17(2)14-28-22(29)24(26-23(28)30,13-18-4-3-5-21(25)12-18)20-6-9-27(10-7-20)15-19-8-11-31-16-19/h3-5,8,11-12,16-17,20H,6-7,9-10,13-15H2,1-2H3,(H,26,30)
• InChIKey: NQHAZRWKYCIAIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(2-methylpropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(2-methylpropyl)imidazolidine-2,4-dione
• Synonyms: 5-(3-fluorobenzyl)-5-[1-(3-furylmethyl)-4-piperidinyl]-3-isobutyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.73657
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2263932
• LogD (pH = 7.4): 2.9993222
• Log P: 3.8136349
• Molar Refractivity: 116.3761 cm^3
• Polarizability: 44.730015 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.01
• LOG S: -4.31
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 6