COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL115180
Chemical Name: (2E,9E)-9-(4-ethoxybenzylidene)-5-(4-ethoxyphenyl)-2-(4-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Smiles: CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1ccc(cc1)[N+](=O)[O-])/s3)/C(=C/c1ccc(cc1)OCC)/CCC2

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Molecular Weight: 593.7
Empirical Formula: C34H31N3O5S

Physical State: Dry powder
Available Amount: 51 mg

Lipinsky:
logP: 8.023
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 122
Number of rings: 6

     

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