8-Karboksamidociklazocin

8-Karboksamidociklazocin
Klinički podaci
Drugs.comMonografija
Identifikatori
CAS broj911207-68-6 ДаY
ATC kodNone
PubChemCID 10086063
Hemijski podaci
FormulaC19H26N2O
Molarna masa298,423
  • C[C@H]1C2Cc3ccc(cc3[C@]1(C)CCN2CC4CC4)C(=O)N
  • InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22)/t12-,17?,19+/m0/s1 ДаY
  • Key:FAVQVALXVLMHLE-HIFNOKKUSA-N ДаY

8-Karboksamidociklazocin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 298,423 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 1
Broj rotacionih veza 3
Particioni koeficijent[1] (ALogP) 3,0
Rastvorljivost[2] (logS, log(mol/L)) -4,4
Polarna površina[3] (PSA, Å2) 46,3

Reference

  1. ^ 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. 
  2. ^ 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. 
  3. ^ 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

Spoljašnje veze

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