Brotizolam

Brotizolam
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj57801-81-7 ДаY
ATC kodN05CD09 (WHO)
PubChemCID 2451
DrugBank? ДаY
ChemSpider2357 ДаY
UNII5XZM1R3DKF ДаY
KEGGD01744 ДаY
ChEMBLCHEMBL32479 ДаY
Hemijski podaci
FormulaC15H10BrClN4S
Molarna masa393,689
  • Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12
  • InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3 ДаY
  • Key:UMSGKTJDUHERQW-UHFFFAOYSA-N ДаY

Brotizolam je organsko jedinjenje, koje sadrži 15 atoma ugljenika i ima molekulsku masu od 393,689 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 1
Particioni koeficijent[1] (ALogP) 3,9
Rastvorljivost[2] (logS, log(mol/L)) -7,0
Polarna površina[3] (PSA, Å2) 71,3

Reference

  1. ^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o. 
  2. ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t. 
  3. ^ 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”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e. 

Literatura

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