COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK639258
Chemical Name: (4aR,7aS)-4-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)hexahydrothieno[3,4-b]pyrazin-2(1H)-one6,6-dioxide
Smiles: Brc1ccc(cc1)N1C(=O)CN([C@@H]2[C@H]1CS(=O)(=O)C2)Cc1ccc2c(c1)OCO2

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Molecular Weight: 479.35
Empirical Formula: C20H19BrN2O5S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.901
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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