COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039842
Chemical Name: 3-methyl-N-[(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: Cc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 340.36
Empirical Formula: C16H12N4O3S

Physical State: Dry powder
Available Amount: 286 mg

Lipinsky:
logP: 3.038
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 3

     

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