COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776741
Chemical Name: (2Z)-2-{(1S,2R,5S)-2-[(5-tert-butyl-2-methylphenyl)sulfanyl]-6,8-dioxabicyclo[3.2.1]oct-4-ylidene}hydrazinecarbothioamide(non-preferredname)
Smiles: NC(=S)N/N=C\1/C[C@@H](Sc2cc(ccc2C)C(C)(C)C)[C@H]2O[C@@H]1OC2

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Molecular Weight: 379.55
Empirical Formula: C18H25N3O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.277
Rotatable bonds: 1
H-donors: 3
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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