COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040810
Chemical Name: 2-[(4-nitrobenzyl)sulfanyl]-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 413.52
Empirical Formula: C20H19N3O3S2

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.206
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 132
Number of rings: 4

     

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