Tetrindol : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Tetrindol

Tetrindol
Klinički podaci


Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 160020
ChemSpider	140675^Y
Hemijski podaci
Formula	C₂₀H₂₆N₂
Molarna masa	294,434
SMILES C1CCC(CC1)c2ccc3c(c2)c4CCCC5NCCn3c45
InChI InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2^Y Key:AUXCHYJDVJZEPG-UHFFFAOYSA-N^Y

Tetrindol je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 294,434 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	5,1
Rastvorljivost^[2] (logS, log(mol/L))	-6,9
Polarna površina^[3] (PSA, Å²)	17,0

^ 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.