5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[2-(thiophen-2-yl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 544525
• Molecular Formular: C24H28FN3O4S
• Molecular Mass: 473.5602232
• Monoisotopic Mass: 473.17845561
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(C(=O)Cc2sccc2)CC1)CCOC
• Canonical SMILES: COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)C(=O)Cc1cccs1
• InChI: InChI=1S/C24H28FN3O4S/c1-32-12-11-28-22(30)24(26-23(28)31,16-17-4-2-5-19(25)14-17)18-7-9-27(10-8-18)21(29)15-20-6-3-13-33-20/h2-6,13-14,18H,7-12,15-16H2,1H3,(H,26,31)
• InChIKey: UYNWKEFYERDLPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[2-(thiophen-2-yl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[2-(thiophen-2-yl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-(3-fluorobenzyl)-3-(2-methoxyethyl)-5-[1-(2-thienylacetyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.722199
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6317503
• LogD (pH = 7.4): 2.6315486
• Log P: 2.631753
• Molar Refractivity: 122.4324 cm^3
• Polarizability: 46.973404 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -5.17
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 7