COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406156
Chemical Name: 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Smiles: CCn1c(SCC(=O)NCc2cc3OCCCOc3cc2C)nnc1c1cccs1

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Molecular Weight: 444.58
Empirical Formula: C21H24N4O3S2

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 4.278
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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