COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526256
Chemical Name: (1S,5S)-3-{2-[(4-tert-butylphenyl)sulfonyl]ethyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Smiles: O=c1cccc2n1C[C@H]1CN(C[C@@H]2C1)CCS(=O)(=O)c1ccc(cc1)C(C)(C)C

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Saltdata: HCl
Molecular Weight: 414.57
Empirical Formula: C23H30N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.974
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 66
Number of rings: 4

     

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