COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052713
Chemical Name: 3,4,5-trimethoxy-N-[(2E)-5-(1-phenylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Smiles: CCC(c1n[nH]/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/s1)c1ccccc1

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 106
Number of rings: 3

     

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