COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK181105
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl3,4-dichlorobenzoate
Smiles: Cc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 489.38
Empirical Formula: C23H18Cl2N2O4S

Physical State: Dry powder
Available Amount: 531 mg

Lipinsky:
logP: 5.972
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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