COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK452495
Chemical Name: methyl4-(2,4-dimethylphenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Smiles: COC(=O)c1c(scc1c1ccc(cc1C)C)NC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 455.45
Empirical Formula: C21H17N3O7S

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 6.004
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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