COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130276
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]ethyl2-bromobenzoate
Smiles: O=C(c1ccccc1Br)OCCNC1=NS(=O)(=O)c2c1cccc2

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Molecular Weight: 409.26
Empirical Formula: C16H13BrN2O4S

Physical State: Dry powder
Available Amount: 426 mg

Lipinsky:
logP: 3.052
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 85
Number of rings: 3

     

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