COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034416
Chemical Name: ethyl4-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 671 mg

Lipinsky:
logP: 3.273
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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