COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835167
Chemical Name: 7,8-dimethyl-3-(3-nitrophenyl)-1,5-dihydro-2,4-benzodithiepine
Smiles: [O-][N+](=O)c1cccc(c1)C1SCc2c(CS1)cc(c(c2)C)C

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Molecular Weight: 331.46
Empirical Formula: C17H17NO2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.628
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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