COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458362
Chemical Name: 2-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hydrazinecarbothioamide
Smiles: COc1cc(CCNC(=S)NNC(=O)c2sc3c(c2Cl)ccc(c3)[N+](=O)[O-])ccc1OC

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Molecular Weight: 494.98
Empirical Formula: C20H19ClN4O5S2

Physical State: Dry powder
Available Amount: 421 mg

Lipinsky:
logP: 4.803
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 177
Number of rings: 3

     

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