COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456201
Chemical Name: methyl2-[({2-[(4-bromophenyl)acetyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)Cc2ccc(cc2)Br)sc2c1CCCCC2

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Molecular Weight: 496.45
Empirical Formula: C20H22BrN3O3S2

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 7.092
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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