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

Chemical Structure Depiction of
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Available: 37 mg
Amount:
mg
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Compound characteristics

Compound ID: 4896-2759
Compound Name: 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Molecular Weight: 472.41
Molecular Formula: C21 H22 Br N5 O S
Smiles: CCN(CC)c1ccc(cc1)C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br]
Stereo: RACEMIC MIXTURE
logP: 5.3747
logD: 5.1807
logSw: -5.5557
Hydrogen bond acceptors count: 5
Hydrogen bond donors count: 1
Polar surface area: 55.034
InChI Key: GGXLXWMVJWOMBF-LJQANCHMSA-N
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