COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524421
Chemical Name: 4-benzyl-8-tert-butyl-1-[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCC(C3)C(C)(C)C

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Molecular Weight: 583.61
Empirical Formula: C29H28Cl2N4OS2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.051
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 104
Number of rings: 6

     

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