COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421123
Chemical Name: methyl2-({[3-methyl-4-(2-methylpropyl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]carbonyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(N2CC(C)C)C

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Molecular Weight: 429.5
Empirical Formula: C21H23N3O5S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 3.052
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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