COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456196
Chemical Name: ethyl2-[({2-[(3,4,5-triethoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NNC(=O)c2cc(OCC)c(c(c2)OCC)OCC)sc2c1CCCCC2

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Molecular Weight: 549.71
Empirical Formula: C26H35N3O6S2

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 8.612
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 167
Number of rings: 3

     

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