1-[3-(ethylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one

Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Available: 73 mg
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mg
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Compound characteristics

Compound ID: F579-0335
Compound Name: 1-[3-(ethylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 436.53
Molecular Formula: C23 H24 N4 O3 S
Smiles: [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccc(cc1)OC(C)C)N2C(C)=O
Stereo: RACEMIC MIXTURE
logP: 4.2534
logD: 4.2534
logSw: -4.3177
Hydrogen bond acceptors count: 8
Polar surface area: 61.442
InChI Key: RTKJIMLQTZEMEN-QFIPXVFZSA-N
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