COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037437
Chemical Name: 3,4,5-trimethoxy-N-[(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)/N=c/1\[nH]nc(s1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 416.41
Empirical Formula: C18H16N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.768
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 152
Number of rings: 3

     

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