COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130022
Chemical Name: 1-(4-bromophenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1c1cc2c(o1)c(OC)ccc2

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Molecular Weight: 484.37
Empirical Formula: C22H18BrN3O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.834
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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