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

Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(2-chloro-4,5-dimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Available: 76 mg
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mg
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Compound characteristics

Compound ID: 4896-4253
Compound Name: 1-[3-(butylsulfanyl)-6-(2-chloro-4,5-dimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 501
Molecular Formula: C24 H25 Cl N4 O4 S
Smiles: CCCCSc1nc2c(c3ccccc3N(C(c3cc(c(cc3[Cl])OC)OC)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 4.6752
logD: 4.6752
logSw: -4.9251
Hydrogen bond acceptors count: 9
Polar surface area: 69.9
InChI Key: XTPPSMGBADYEQC-QHCPKHFHSA-N
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