JNJ-26990990 : Osobine, Reference, Literatura, Spoljašnje veze Википедија

JNJ-26990990

JNJ-26990990
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	877316-38-6^Y
PubChem	CID 11687376
ChEMBL	CHEMBL466517^Y
Sinonimi	N-((Benzo[b]thien-3-yl)methyl)sulfamide
Hemijski podaci
Formula	C₉H₁₀N₂O₂S₂
Molarna masa	242,318
SMILES NS(=O)(=O)NCc1csc2ccccc12
InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)^Y Key:AWSKBQNOSRREEY-UHFFFAOYSA-N^Y

JNJ-26990990 je organsko jedinjenje, koje sadrži 9 atoma ugljenika i ima molekulsku masu od 242,318 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	2
Broj rotacionih veza	3
Particioni koeficijent^[1] (ALogP)	0,8
Rastvorljivost^[2] (logS, log(mol/L))	-3,6
Polarna površina^[3] (PSA, Å²)	108,8

^ 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.