COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041368
Chemical Name: 7-tert-butyl-N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Smiles: O=C(C1COc2c(O1)cc(cc2)C(C)(C)C)N/N=C\c1ccc(s1)[N+](=O)[O-]

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Molecular Weight: 389.43
Empirical Formula: C18H19N3O5S

Physical State: Dry powder
Available Amount: 436 mg

Lipinsky:
logP: 4.485
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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