4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Chemical Structure Depiction of
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Available: 54 mg
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mg
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Compound characteristics

Compound ID: 6469-0030
Compound Name: 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Molecular Weight: 417.28
Molecular Formula: C17 H13 Br N4 O2 S
Smiles: CSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)O)O2)[Br])nn1
Stereo: RACEMIC MIXTURE
logP: 3.9444
logD: 3.9421
logSw: -4.0754
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 2
Polar surface area: 69.914
InChI Key: MSHYVTMDMWPUDI-OAHLLOKOSA-N
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