6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Structure Depiction of
6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Available: 25 mg
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mg
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Compound characteristics

Compound ID: Y500-1109
Compound Name: 6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Molecular Weight: 549.49
Molecular Formula: C27 H25 Br N4 O2 S
Smiles: CCCCSc1nc2c(c3ccccc3NC(c3cc(ccc3OCc3ccccc3)[Br])O2)nn1
Stereo: RACEMIC MIXTURE
logP: 7.5378
logD: 7.5378
logSw: -5.8118
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 1
Polar surface area: 59.612
InChI Key: ZWPZSMPXOOSUGT-VWLOTQADSA-N
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