COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147368
Chemical Name: N-[(2E)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1,3-benzodioxole-5-carboxamide
Smiles: O=C(c1ccc2c(c1)OCO2)/N=c/1\[nH]nc(s1)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 384.37
Empirical Formula: C17H12N4O5S

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 2.014
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 4

     

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