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Talsupram

Talsupram
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj21489-20-3 ДаY
ATC kodnone
PubChemCID 33014
ChemSpider30557 ДаY
UNIIC6Z73MW6CR ДаY
Hemijski podaci
FormulaC20H25NS
Molarna masa311,484
  • CNCCCC1(SC(C)(C)c2ccccc12)c3ccccc3
  • InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3 ДаY
  • Key:FKHYYOUFMJBLAF-UHFFFAOYSA-N ДаY

Talsupram je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 311,484 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 5
Particioni koeficijent[1] (ALogP) 4,4
Rastvorljivost[2] (logS, log(mol/L)) -7,6
Polarna površina[3] (PSA, Å2) 37,3

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

Spoljašnje veze

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