5-[(2-fluorophenyl)methyl]-5-(1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 418754
• Molecular Formular: C26H33FN4O2S
• Molecular Mass: 484.6292232
• Monoisotopic Mass: 484.23082554
• SMILES: C1(C(=O)NC(=O)N1)(Cc1c(F)cccc1)C1CCN(Cc2sc(cc2)CN2CCCCC2)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1F)C1CCN(CC1)Cc1ccc(s1)CN1CCCCC1
• InChI: InChI=1S/C26H33FN4O2S/c27-23-7-3-2-6-19(23)16-26(24(32)28-25(33)29-26)20-10-14-31(15-11-20)18-22-9-8-21(34-22)17-30-12-4-1-5-13-30/h2-3,6-9,20H,1,4-5,10-18H2,(H2,28,29,32,33)
• InChIKey: WDVYQQATMKASIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-fluorophenyl)methyl]-5-(1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-fluorophenyl)methyl]-5-(1-{[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-(2-fluorobenzyl)-5-(1-{[5-(1-piperidinylmethyl)-2-thienyl]methyl}-4-piperidinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.748951
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5759655
• LogD (pH = 7.4): 1.7551413
• Log P: 3.5801528
• Molar Refractivity: 132.5805 cm^3
• Polarizability: 50.993885 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.42
• LOG S: -4.13
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 7