COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK731967
Chemical Name: ethyl2-{[(7-bromo-1-benzoxepin-4-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)sc(c1C)C

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Molecular Weight: 448.34
Empirical Formula: C20H18BrNO4S

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 7.113
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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