COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527355
Chemical Name: diethyl(2,2-bis{[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]sulfanyl}-1-cyanoethenyl)phosphonate
Smiles: CCOP(=O)(/C(=C(/SCn1c(=O)oc2c1ccc(c2)Cl)\SCn1c(=O)oc2c1ccc(c2)Cl)/C#N)OCC

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Molecular Weight: 616.44
Empirical Formula: C23H20Cl2N3O7PS2

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 7.841
Rotatable bonds: 11
H-donors: 0
H-acceptors: 7
PSA: 178
Number of rings: 4

     

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