COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219417
Chemical Name: 2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(c(c2)OC)OC)nnc1c1ccc(cc1)Cl

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Molecular Weight: 429.93
Empirical Formula: C21H20ClN3O3S

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 6.091
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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