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

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

Compound ID: 4896-3855
Compound Name: 1-[3-(butylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 407.49
Molecular Formula: C21 H21 N5 O2 S
Smiles: CCCCSc1nc2c(c3ccccc3N(C(c3cccnc3)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 3.4101
logD: 3.4097
logSw: -3.6772
Hydrogen bond acceptors count: 8
Polar surface area: 64.157
InChI Key: HESNOGOPIWMPDJ-FQEVSTJZSA-N
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