COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057482
Chemical Name: N-(4-bromo-3-methylphenyl)-N'-[(2E)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CCC(=O)/N=c/1\[nH]nc(s1)C(C)C

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Molecular Weight: 411.32
Empirical Formula: C16H19BrN4O2S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 3.064
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 2

     

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