COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847385
Chemical Name: 3-({[3-(2-bromophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetyl)-3,8,8-trimethyl-2,7-dioxaspiro[4.4]nonane-1,6-dione
Smiles: O=C(C1(C)OC(=O)C2(C1)CC(OC2=O)(C)C)CSc1[nH]nc(n1)c1ccccc1Br

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Molecular Weight: 494.37
Empirical Formula: C20H20BrN3O5S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.066
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 4

     

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