COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042822
Chemical Name: 4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cc(ccc1Cl)[N+](=O)[O-])C

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Molecular Weight: 417.88
Empirical Formula: C18H16ClN5O3S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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