COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK427694
Chemical Name: propan-2-yl2-{[(2,4-dinitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 447.47
Empirical Formula: C20H21N3O7S

Physical State: Dry powder
Available Amount: 1615 mg

Lipinsky:
logP: 6.683
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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