Lorediplon : Osobine, Reference, Literatura, Spoljašnje veze Википедија

Lorediplon

Lorediplon
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	917393-39-6^Y
ATC kod	None
PubChem	CID 12004146
ChemSpider	10176613^Y
Hemijski podaci
Formula	C₂₀H₁₅FN₄O₂S
Molarna masa	394,422
SMILES CN(C(=O)C)c1cc(ccc1F)c2ccnc3c(cnn23)C(=O)c4cccs4
InChI InChI=1S/C20H15FN4O2S/c1-12(26)24(2)17-10-13(5-6-15(17)21)16-7-8-22-20-14(11-23-25(16)20)19(27)18-4-3-9-28-18/h3-11H,1-2H3^Y Key:NQPOCLFSADOXBR-UHFFFAOYSA-N^Y

Lorediplon je organsko jedinjenje, koje sadrži 20 atoma ugljenika i ima molekulsku masu od 394,422 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	2,9
Rastvorljivost^[2] (logS, log(mol/L))	-5,4
Polarna površina^[3] (PSA, Å²)	95,8

^ 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.