COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008752
Chemical Name: ethyl2-{[(2E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C=C/c2cc(Br)cc(c2OC)Br)sc2c1CCCC2

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Molecular Weight: 543.28
Empirical Formula: C21H21Br2NO4S

Physical State: Dry powder
Available Amount: 698 mg

Lipinsky:
logP: 9.044
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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