Org 28312

Org 28312
Klinički podaci
Drugs.com28312.html Monografija
Identifikatori
CAS broj1244028-73-6 ДаY
ATC kodNone
PubChemCID 10069407
ChemSpider24581999 ДаY
ChEMBLCHEMBL1209708 ДаY
Hemijski podaci
FormulaC24H35N3O2
Molarna masa397,554
SMILES
  • COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N4C[C@@H](C)N(C)[C@@H](C)C4
InChI
  • InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16-26(15-19-9-6-5-7-10-19)23-20(21)11-8-12-22(23)29-4/h8,11-12,16-19H,5-7,9-10,13-15H2,1-4H3/t17-,18+ ДаY
  • Key:DMYGECJTVMCGEP-HDICACEKSA-N ДаY

Org 28312 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 397,554 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 4
Particioni koeficijent[1] (ALogP) 4,6
Rastvorljivost[2] (logS, log(mol/L)) -5,2
Polarna površina[3] (PSA, Å2) 37,7

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

  • Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803. 
  • Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799. 

Spoljašnje veze

  • Portal Medicina
  • Portal Hemija
Org 28312 na Vikimedijinoj ostavi.
  • Org 28312