Triflubazam

Triflubazam

Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	22365-40-8^Y
ATC kod	none
PubChem	CID 31157
ChemSpider	28907^Y
UNII	80D8H0388T^Y
Hemijski podaci
Formula	C17H13F3N2O2
Molarna masa	334,293
SMILES CN1C(=O)CC(=O)N(c2ccccc2)c3cc(ccc13)C(F)(F)F
InChI InChI=1S/C17H13F3N2O2/c1-21-13-8-7-11(17(18,19)20)9-14(13)22(16(24)10-15(21)23)12-5-3-2-4-6-12/h2-9H,10H2,1H3^Y Key:DMNPCIKBNDKNTO-UHFFFAOYSA-N^Y

Triflubazam je organsko jedinjenje, koje sadrži 17 atoma ugljenika i ima molekulsku masu od 334,293 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	2
Particioni koeficijent[1] (ALogP)	3,0
Rastvorljivost[2] (logS, log(mol/L))	-4,5
Polarna površina[3] (PSA, Å^2)	40,6

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

• Triflubazam