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

Chemical Structure Depiction of
5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Available: 96 mg
Amount:
mg
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Compound characteristics

Compound ID: 4896-4334
Compound Name: 5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Molecular Weight: 489.39
Molecular Formula: C21 H21 Br N4 O3 S
Smiles: CCCCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)O)OC)O2)[Br])nn1
Stereo: RACEMIC MIXTURE
logP: 5.3598
logD: 5.3281
logSw: -5.1517
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 76.476
InChI Key: YYIMPNUIGNZACP-LJQANCHMSA-N
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