COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687977
Chemical Name: (1S,5R)-N-(1,3-benzodioxol-5-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Smiles: S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Nc1ccc2c(c1)OCO2

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Molecular Weight: 369.44
Empirical Formula: C19H19N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.387
Rotatable bonds: 0
H-donors: 1
H-acceptors: 3
PSA: 86
Number of rings: 5

     

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