COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085025
Chemical Name: (5E)-5-[3-bromo-4-(butan-2-yloxy)benzylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCC(Oc1ccc(cc1Br)/C=C/1\C(=O)NC(=S)N(C1=O)C)C

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Molecular Weight: 397.29
Empirical Formula: C16H17BrN2O3S

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 2

     

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