1-[6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Chemical Structure Depiction of
1-[6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Available: 72 mg
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mg
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Compound characteristics

Compound ID: 4896-5194
Compound Name: 1-[6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Molecular Weight: 515.38
Molecular Formula: C22 H19 Br N4 O4 S
Smiles: CCC(N1C(c2cc3c(cc2[Br])OCO3)Oc2c(c3ccccc13)nnc(n2)SCC)=O
Stereo: RACEMIC MIXTURE
logP: 4.4951
logD: 4.4951
logSw: -4.4489
Hydrogen bond acceptors count: 9
Polar surface area: 70.759
InChI Key: GRUZEYVSNIZEMI-NRFANRHFSA-N
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