COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112094
Chemical Name: 3-bromo-N'-[(2E)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]benzohydrazide
Smiles: C=CCn1/c(=N\NC(=O)c2cccc(c2)Br)/scc1c1ccc2c(c1)OCCO2

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Molecular Weight: 472.36
Empirical Formula: C21H18BrN3O3S

Physical State: Dry powder
Available Amount: 293 mg

Lipinsky:
logP: 5.649
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 4

     

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