COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK320619
Chemical Name: diethyl2-{1-[(4-tert-butylphenyl)carbonyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)c1ccc(cc1)C(C)(C)C)(C)C

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Molecular Weight: 639.86
Empirical Formula: C33H37NO6S3

Physical State: Dry powder
Available Amount: 456 mg

Lipinsky:
logP: 8.136
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 164
Number of rings: 4

     

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