COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584244
Chemical Name: 2-(2,4-dichlorophenoxy)-1-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)propan-1-one
Smiles: Clc1ccc(c(c1)Cl)OC(C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)C

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Molecular Weight: 436.33
Empirical Formula: C22H23Cl2NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.138
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 48
Number of rings: 4

     

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