4-AcO-DALT

4-AcO-DALT
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
Hemijski podaci
Formula	C₁₈H₂₂N₂O₂
Molarna masa	298,379
SMILES CC(=O)Oc1cccc2[nH]cc(CCN(CC=C)CC=C)c12
InChI InChI=1S/C18H22N2O2/c1-4-10-20(11-5-2)12-9-15-13-19-16-7-6-8-17(18(15)16)22-14(3)21/h4-8,13,19H,1-2,9-12H2,3H3^Y Key:WRHFDIBXZYYCHO-UHFFFAOYSA-N^Y

4-AcO-DALT je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 298,379 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	1
Broj rotacionih veza	9
Particioni koeficijent^[1] (ALogP)	3,5
Rastvorljivost^[2] (logS, log(mol/L))	-4,6
Polarna površina^[3] (PSA, Å²)	45,3

^ 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.