COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580737
Chemical Name: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1COc1ccc(cc1)Cl

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Molecular Weight: 429.93
Empirical Formula: C21H20ClN3O3S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 5.384
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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