COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130233
Chemical Name: 4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butyl4-nitrobenzoate
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])OCCCCNC1=NS(=O)(=O)c2c1cccc2

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Molecular Weight: 403.42
Empirical Formula: C18H17N3O6S

Physical State: Dry powder
Available Amount: 18 mg

Lipinsky:
logP: 2.823
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 131
Number of rings: 3

     

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