COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL352655
Chemical Name: 2-[4-(dimethylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(N(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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Molecular Weight: 491.52
Empirical Formula: C25H21N3O6S

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 5.771
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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