Etazolat : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Etazolat

Etazolat
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	51022-77-6^Y
ATC kod	none
PubChem	CID 3277
ChemSpider	3162^Y
UNII	I89Y79062L^Y
ChEMBL	CHEMBL356388^Y
Hemijski podaci
Formula	C₁₄H₁₉N₅O₂
Molarna masa	289,333
SMILES CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C
InChI InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-8H,5-6H2,1-4H3,(H,15,18)^Y Key:OPQRBXUBWHDHPQ-UHFFFAOYSA-N^Y

Etazolat je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 289,333 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	1
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	1,2
Rastvorljivost^[2] (logS, log(mol/L))	-3,5
Polarna površina^[3] (PSA, Å²)	81,4

^ 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.
^ 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.
^ 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.

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.