COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053476
Chemical Name: N-[(2E)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Smiles: O=C1OC(C)(Cc2c1cccc2)C(=O)/N=c/1\[nH]nc(s1)SCc1ccccc1

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Molecular Weight: 411.51
Empirical Formula: C20H17N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.521
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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