COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000820
Chemical Name: 2- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: COc1ccc(c(c1)OC)/C=N/c1sc2c(c1C#N)CCCC2

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 326.42
Empirical Formula: C18H18N2O2S

Physical State: Dry powder
Available Amount: 5585 mg

Lipinsky:
logP: 4.039
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

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