COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK451654
Chemical Name: ethyl4-(2,5-dimethylphenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 469.47
Empirical Formula: C22H19N3O7S

Physical State: Dry powder
Available Amount: 621 mg

Lipinsky:
logP: 6.535
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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