COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581300
Chemical Name: (2E)-N-(3-bromobenzyl)-3-(4-tert-butylphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: Brc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(cc1)C(C)(C)C

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Molecular Weight: 490.46
Empirical Formula: C24H28BrNO3S

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 4.732
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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