COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048436
Chemical Name: (5E)-5-{4-[(4-bromobenzyl)oxy]-3-methoxybenzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)Br)/C=C/1\C(=O)NC(=S)N(C1=O)C

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Molecular Weight: 461.34
Empirical Formula: C20H17BrN2O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.758
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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