3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate

Chemical Structure Depiction of
3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate
Available: 62 mg
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mg
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Compound characteristics

Compound ID: 4896-3852
Compound Name: 3-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenyl acetate
Molecular Weight: 543.44
Molecular Formula: C24 H23 Br N4 O4 S
Smiles: CCCCSc1nc2c(c3ccccc3N(C(c3cc(ccc3[Br])OC(C)=O)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 4.7709
logD: 4.7709
logSw: -4.7032
Hydrogen bond acceptors count: 10
Polar surface area: 75.39
InChI Key: WGGTWRFSMXLXQQ-QHCPKHFHSA-N
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