Tialbarbital
 | |
| Klinički podaci | |
|---|---|
| Drugs.com | Monografija |
| Identifikatori | |
| CAS broj | 3546-29-0  |
| ATC kod | none |
| PubChem | CID 3032306 |
| ChemSpider | 2297316 |
| UNII | ENV72C33QD |
| Sinonimi | Kemithal, 5-(1-cyclohex-2-enyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Hemijski podaci | |
| Formula | C13H16N2O2S |
| Molarna masa | 264,343 |
| |
| |
Tialbarbital je organsko jedinjenje, koje sadrži 13 atoma ugljenika i ima molekulsku masu od 264,343 Da.
Osobine
[уреди | уреди извор]| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 5 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 3 |
| Particioni koeficijent[1] (ALogP) | 3,9 |
| Rastvorljivost[2] (logS, log(mol/L)) | -5,1 |
| Polarna površina[3] (PSA, Å2) | 97,3 |
Reference
[уреди | уреди извор]- ^ 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.
Literatura
[уреди | уреди извор]- 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.
