Metkefamid

Metkefamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	66960-34-7^Y
ATC kod	None
PubChem	CID 5464184
ChemSpider	4576570^Y
Hemijski podaci
Formula	C₂₉H₄₀N₆O₆S
Molarna masa	600,729
SMILES CSCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)\N=C(/O)\C\N=C(/O)\[C@@H](C)\N=C(/O)\[C@@H](N)Cc2ccc(O)cc2)C(=N)O
InChI InChI=1S/C29H40N6O6S/c1-18(33-28(40)22(30)15-20-9-11-21(36)12-10-20)27(39)32-17-25(37)34-23(16-19-7-5-4-6-8-19)29(41)35(2)24(26(31)38)13-14-42-3/h4-12,18,22-24,36H,13-17,30H2,1-3H3,(H2,31,38)(H,32,39)(H,33,40)(H,34,37)/t18-,22+,23+,24+/m1/s1^Y Key:FWDIKROEWJOQIQ-JMBSJVKXSA-N^Y

Metkefamid je organsko jedinjenje, koje sadrži 29 atoma ugljenika i ima molekulsku masu od 600,729 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	12
Broj donora vodonika	7
Broj rotacionih veza	16
Particioni koeficijent^[1] (ALogP)	2,5
Rastvorljivost^[2] (logS, log(mol/L))	-6,7
Polarna površina^[3] (PSA, Å²)	233,7

^ 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.