5-(2-fluorophenyl)-1-(triphenylmethyl)-1H-1,2,3,4-tetrazole

• ChemBase ID: 179318
• Molecular Formular: C26H19FN4
• Molecular Mass: 406.4542632
• Monoisotopic Mass: 406.15937485
• SMILES: c1(ccccc1c1n(nnn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)F
• Canonical SMILES: Fc1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H19FN4/c27-24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
• InChIKey: KXEPTKQNAIEYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-1-(triphenylmethyl)-1H-1,2,3,4-tetrazole
• IUPAC Traditional name: 5-(2-fluorophenyl)-1-(triphenylmethyl)-1,2,3,4-tetrazole
• Synonyms: 5-(2-Fluorophenyl)-1-(triphenylmethyl)-1H-tetrazole; N-Trityl-5-(2-fluorophenyl)-1H-tetrazole

Database IDs

• CAS Number: 937636-38-9
• PubChem SID: 164235228
• PubChem CID: 16640999

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.677139
• LogD (pH = 7.4): 6.677139
• Log P: 6.677139
• Molar Refractivity: 143.9028 cm^3
• Polarizability: 45.866844 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Dimethyl Formamide; Ethyl Acetate; Methanol
• Apperance: Pale Brown Solid

DETAILS

Toronto Research Chemicals - T887880

A protected intermediate in the preparation of losartan, and losartan derivatives.

REFERENCES

• Cheng, Y., et al.: J. Med. Chem., 51, 5019 (2008)