1-[3-(butylsulfanyl)-10-ethyl-6-(2-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Chemical Structure Depiction of
1-[3-(butylsulfanyl)-10-ethyl-6-(2-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Available: 3 mg
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mg
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Compound characteristics

Compound ID: F579-2472
Compound Name: 1-[3-(butylsulfanyl)-10-ethyl-6-(2-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Molecular Weight: 466.58
Molecular Formula: C25 H27 F N4 O2 S
Smiles: CCCCSc1nc2c(c3cc(CC)ccc3N(C(c3ccccc3F)O2)C(CC)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 6.3015
logD: 6.3015
logSw: -5.4656
Hydrogen bond acceptors count: 7
Polar surface area: 53.644
InChI Key: AODBVDPKHFVHNG-DEOSSOPVSA-N
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