COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK610925
Chemical Name: (2E)-N-[(2E)-5-(butylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-chlorophenyl)prop-2-enamide
Smiles: CCCCS(=O)(=O)c1n[nH]/c(=N\C(=O)/C=C/c2ccc(cc2)Cl)/s1

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Molecular Weight: 385.9
Empirical Formula: C15H16ClN3O3S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.588
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 2

     

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