COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052716
Chemical Name: N,N'-[(nitroimino)bis(ethane-2,1-diyl-1,3,4-thiadiazol-2-yl-5-ylidene)]bis(2-methylpropanamide)
Smiles: CC(C(=O)/N=c/1\[nH]nc(s1)CCN([N+](=O)[O-])CCc1n[nH]/c(=N/C(=O)C(C)C)/s1)C

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Molecular Weight: 456.55
Empirical Formula: C16H24N8O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.412
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 207
Number of rings: 2

     

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