1-{3-[(2-methylpropyl)sulfanyl]-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one

Chemical Structure Depiction of
1-{3-[(2-methylpropyl)sulfanyl]-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Available: 72 mg
Amount:
mg
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Compound characteristics

Compound ID: F579-0862
Compound Name: 1-{3-[(2-methylpropyl)sulfanyl]-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Molecular Weight: 464.59
Molecular Formula: C25 H28 N4 O3 S
Smiles: [H]c1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1ccc(cc1)OCCC)N2C(C)=O
Stereo: RACEMIC MIXTURE
logP: 5.3416
logD: 5.3416
logSw: -5.3523
Hydrogen bond acceptors count: 8
Polar surface area: 62.057
InChI Key: AIWNICQRHURZLR-DEOSSOPVSA-N
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