COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK897004
Chemical Name: diethyl(2,2,2-trichloro-1-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}ethyl)phosphonate
Smiles: CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2)OCC

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Molecular Weight: 507.72
Empirical Formula: C15H18Cl3N2O7PS

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 2.14
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 137
Number of rings: 2

     

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