COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK940629
Chemical Name: (3E)-3-[2-(3-bromophenyl)-2-oxoethylidene]-6-(ethylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: CCS(=O)(=O)c1ccc2c(c1)[nH]/c(=C/C(=O)c1cccc(c1)Br)/c(=O)o2

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Molecular Weight: 436.28
Empirical Formula: C18H14BrNO5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.699
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 3

     

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