COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415847
Chemical Name: N-(4-bromophenyl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)Br)nnc1c1ccc2c(c1)OCCCO2

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Molecular Weight: 489.39
Empirical Formula: C21H21BrN4O3S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 6.169
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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