COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL092805
Chemical Name: ethyl8-bromo-3-(3-methoxypropyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Smiles: COCCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Br)C(=O)OCC

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Molecular Weight: 443.36
Empirical Formula: C18H23BrN2O4S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 3.774
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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