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

Chemical Structure Depiction of
1-[6-(2-chloro-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Available: 57 mg
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mg
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Compound characteristics

Compound ID: 4896-5276
Compound Name: 1-[6-(2-chloro-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 458.92
Molecular Formula: C21 H19 Cl N4 O4 S
Smiles: CC(N1C(c2cc(c(cc2[Cl])OC)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O
Stereo: RACEMIC MIXTURE
logP: 3.2575
logD: 3.2575
logSw: -3.7232
Hydrogen bond acceptors count: 9
Polar surface area: 69.9
InChI Key: LSXKPNCJVZJHNH-FQEVSTJZSA-N
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