Tolufazepam

Tolufazepam
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	86273-92-9^Y
ATC kod	None
PubChem	CID 65647
UNII	98SR74X50D^Y
Hemijski podaci
Formula	C₂₄H₂₀Cl₂N₂O₃S
Molarna masa	487,398
SMILES Cc1ccc(cc1)S(=O)(=O)CCN2C(=O)CN=C(c3ccccc3Cl)c4cc(Cl)ccc24
InChI InChI=1S/C24H20Cl2N2O3S/c1-16-6-9-18(10-7-16)32(30,31)13-12-28-22-11-8-17(25)14-20(22)24(27-15-23(28)29)19-4-2-3-5-21(19)26/h2-11,14H,12-13,15H2,1H3^Y Key:FFZOBTGTWSRRMB-UHFFFAOYSA-N^Y

Tolufazepam je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 487,398 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	5,5
Rastvorljivost^[2] (logS, log(mol/L))	-7,9
Polarna površina^[3] (PSA, Å²)	75,2

^ 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.