COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180019
Chemical Name: 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl4-tert-butylbenzoate
Smiles: Cc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 476.6
Empirical Formula: C27H28N2O4S

Physical State: Dry powder
Available Amount: 667 mg

Lipinsky:
logP: 6.566
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 4

     

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