COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL307589
Chemical Name: 2-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Smiles: C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 440.54
Empirical Formula: C22H20N2O4S2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 4.589
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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