COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK654880
Chemical Name: methyl2-{[(4,4-dioxido-3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(sc2c1CCCC2)NC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1

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Molecular Weight: 447.53
Empirical Formula: C21H21NO6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.173
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 135
Number of rings: 4

     

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