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

Chemical Structure Depiction of
1-[3-(hexylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Available: 77 mg
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mg
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Compound characteristics

Compound ID: 4896-5077
Compound Name: 1-[3-(hexylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 454.61
Molecular Formula: C23 H26 N4 O2 S2
Smiles: CCCCCCSc1nc2c(c3ccccc3N(C(c3c(C)ccs3)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 5.9439
logD: 5.9439
logSw: -5.3707
Hydrogen bond acceptors count: 7
Polar surface area: 55.657
InChI Key: PNVXPEWEUIYUSD-QFIPXVFZSA-N
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