COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044860
Chemical Name: 2-(3,4-dimethoxybenzyl)-5,5,7-trimethyl-5,6-dihydro-2H-1,2,4-triazepine-3-thiol
Smiles: COc1cc(ccc1OC)CN1N=C(C)CC(N=C1S)(C)C

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Molecular Weight: 321.44
Empirical Formula: C16H23N3O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 1.434
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 2

     

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