COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK859726
Chemical Name: (7Z)-7-(4,5-dimethoxy-2-nitrobenzylidene)-3-(4-methylphenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Smiles: COc1cc(/C=c/2\sc3=NCN(Cn3c2=O)c2ccc(cc2)C)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 440.48
Empirical Formula: C21H20N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.404
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 125
Number of rings: 4

     

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