COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK132018
Chemical Name: ethyl2-{[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCN2C(=O)c3c(S2(=O)=O)cccc3)sc2c1CCCC2

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Molecular Weight: 462.55
Empirical Formula: C21H22N2O6S2

Physical State: Dry powder
Available Amount: 1942 mg

Lipinsky:
logP: 4.158
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 146
Number of rings: 4

     

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