4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

• ChemBase ID: 312821
• Molecular Formular: C16H13FN2O2S
• Molecular Mass: 316.3500232
• Monoisotopic Mass: 316.06817689
• SMILES: c1(ccc(cc1)Cn1c(=O)n(sc1=O)c1ccc(cc1)C)F
• Canonical SMILES: Cc1ccc(cc1)n1sc(=O)n(c1=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C16H13FN2O2S/c1-11-2-8-14(9-3-11)19-15(20)18(16(21)22-19)10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3
• InChIKey: QUIIIYITNGOFEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
• IUPAC Traditional name: 4-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
• Synonyms: CCG 50014

Database IDs

• CAS Number: 883050-24-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.390431
• LogD (pH = 7.4): 4.390431
• Log P: 4.390431
• Molar Refractivity: 83.7199 cm^3
• Polarizability: 31.683353 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base