COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL094397
Chemical Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Smiles: COc1ccc(cc1OC)CCN1C(=S)NC2CC1(C)Oc1c2cc(cc1)[N+](=O)[O-]

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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