COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053284
Chemical Name: 3,4,5-triethoxy-N-[(2E)-5-octyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCCCCCCCc1n[nH]/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/s1

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Molecular Weight: 449.61
Empirical Formula: C23H35N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.599
Rotatable bonds: 12
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 2

     

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