4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate

Chemical Structure Depiction of
4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate
Available: 80 mg
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mg
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Compound characteristics

Compound ID: 4896-3732
Compound Name: 4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate
Molecular Weight: 508.55
Molecular Formula: C25 H24 N4 O6 S
Smiles: CCCSc1nc2c(c3ccccc3N(C(c3ccc(cc3OC(C)=O)OC(C)=O)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 2.9418
logD: 2.9418
logSw: -3.583
Hydrogen bond acceptors count: 13
Polar surface area: 96.228
InChI Key: QLZQQTKOJPMWRD-DEOSSOPVSA-N
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