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

• ChemBase ID: 447603
• Molecular Formular: C19H21FN4O2S
• Molecular Mass: 388.4590432
• Monoisotopic Mass: 388.13692515
• SMILES: N1(C(=O)NC(C1=O)(Cc1ccc(F)cc1)C1CCNCC1)Cc1scnc1
• Canonical SMILES: O=C1N(Cc2scnc2)C(=O)NC1(Cc1ccc(cc1)F)C1CCNCC1
• InChI: InChI=1S/C19H21FN4O2S/c20-15-3-1-13(2-4-15)9-19(14-5-7-21-8-6-14)17(25)24(18(26)23-19)11-16-10-22-12-27-16/h1-4,10,12,14,21H,5-9,11H2,(H,23,26)
• InChIKey: VGCJGGNBPIXWNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.6348715
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3838187
• LogD (pH = 7.4): -0.71268576
• Log P: 1.336335
• Molar Refractivity: 99.8163 cm^3
• Polarizability: 38.33535 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.66
• LOG S: -3.45
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5