COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094735
Chemical Name: 3-(4-ethoxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 493.61
Empirical Formula: C25H23N3O4S2

Physical State: Dry powder
Available Amount: 408 mg

Lipinsky:
logP: 6.577
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 141
Number of rings: 5

     

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