Flubromazolam

Flubromazolam

Flubromazolam
Systematic (IUPAC) name
8-bromo-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Clinical data
Legal status
?
Identifiers
CAS number  YesY
ATC code ?
PubChem
Chemical data
Formula C17H12BrFN4 
Mol. mass 370.023
 YesY   

Flubromazolam[1] is a drug which is a benzodiazepine derivative related to triazolam and pyrazolam.

Properties

Property Value
Number of proton acceptors 3
Number of hydrogen donors 0
Number of rotating bonds 1
Partition coefficient[2] (ALogP) 3,8
Solubility[3] (logS, log(mol/L)) -6,4
Polar surfaces[4] (PSA, Å2) 43,1


See also

References

  1. ^ WO Patent 2003/82832
  2. ^ Ghose, A. K.; Viswanadhan, V. N.; Wendoloski, J. J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods:  An Analysis of ALOGP and CLOGP Methods". The Journal of Physical Chemistry A 102 (21): 3762.  
  3. ^ Tetko, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (2001). "Estimation of aqueous solubility of chemical compounds using E-state indices". Journal of chemical information and computer sciences 41 (6): 1488–93.  
  4. ^ Ertl, P; Rohde, B; Selzer, P (2000). "Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties". Journal of Medical Chemistry 43 (20): 3714–7.