COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094391
Chemical Name: 3-(1,3-benzodioxol-5-ylmethyl)-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Smiles: CCOc1cccc2c1OC1(C)CC2NC(=S)N1Cc1ccc2c(c1)OCO2

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Molecular Weight: 398.48
Empirical Formula: C21H22N2O4S

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 3.784
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 84
Number of rings: 5

     

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