COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232398
Chemical Name: 2-{[5-(5-chloro-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cc2c(o1)ccc(c2)Cl

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Molecular Weight: 454.89
Empirical Formula: C21H15ClN4O4S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 5.673
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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