COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017956
Chemical Name: methyl5-(diethylcarbamoyl)-2-isothiocyanato-4-methylthiophene-3-carboxylate
Smiles: S=C=Nc1sc(c(c1C(=O)OC)C)C(=O)N(CC)CC

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Molecular Weight: 312.41
Empirical Formula: C13H16N2O3S2

Physical State: Dry powder
Available Amount: 1248 mg

Lipinsky:
logP: 4.381
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 119
Number of rings: 1

     

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