COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094416
Chemical Name: prop-2-en-1-yl3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Smiles: C=CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 438.5
Empirical Formula: C23H22N2O5S

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 4.554
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 5

     

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