Nekopidem

Nekopidem
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	103844-77-5^Y
ATC kod	none
PubChem	CID 3047786
ChemSpider	2310104^Y
UNII	G4N2F166MN^Y
Hemijski podaci
Formula	C₂₃H₂₉N₃O
Molarna masa	363,496
SMILES CCc1ccc(cc1)c2nc3ccc(C)cn3c2CN(C)C(=O)CC(C)C
InChI InChI=1S/C23H29N3O/c1-6-18-8-10-19(11-9-18)23-20(15-25(5)22(27)13-16(2)3)26-14-17(4)7-12-21(26)24-23/h7-12,14,16H,6,13,15H2,1-5H3^Y Key:YRMLUAGKHYADKJ-UHFFFAOYSA-N^Y

Nekopidem je organsko jedinjenje, koje sadrži 23 atoma ugljenika i ima molekulsku masu od 363,496 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	6
Particioni koeficijent^[1] (ALogP)	4,9
Rastvorljivost^[2] (logS, log(mol/L))	-5,9
Polarna površina^[3] (PSA, Å²)	37,6

^ 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.