COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057567
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
Smiles: O=C(Nc1nnc(s1)C(C)(C)C)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 331.4
Empirical Formula: C16H17N3O3S

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.873
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 101
Number of rings: 3

     

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