1-[3-(ethylsulfanyl)-6-(5-methylfuran-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one

Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-(5-methylfuran-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
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Compound characteristics

Compound ID: F579-0286
Compound Name: 1-[3-(ethylsulfanyl)-6-(5-methylfuran-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 382.44
Molecular Formula: C19 H18 N4 O3 S
Smiles: [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccc(C)o1)N2C(C)=O
Stereo: RACEMIC MIXTURE
logP: 3.2868
logD: 3.2868
logSw: -3.7532
Hydrogen bond acceptors count: 8
Polar surface area: 62.731
InChI Key: XPQTZZYKOBRUKZ-SFHVURJKSA-N
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