COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL092821
Chemical Name: ethyl8-bromo-2-methyl-3-(3-methylphenyl)-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Smiles: CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(Br)cc1)c1cccc(c1)C

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Molecular Weight: 461.38
Empirical Formula: C21H21BrN2O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.828
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 82
Number of rings: 4

     

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