6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Structure Depiction of
6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Available: 21 mg
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mg
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Compound characteristics

Compound ID: 4896-4121
Compound Name: 6-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Molecular Weight: 511.39
Molecular Formula: C24 H16 Cl2 N4 O3 S
Smiles: C1Oc2cc(C3Nc4ccccc4c4c(nc(nn4)SCc4ccccc4[Cl])O3)c(cc2O1)[Cl]
Stereo: RACEMIC MIXTURE
logP: 6.1551
logD: 6.1551
logSw: -6.3035
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 69.141
InChI Key: AREXJIXNSXCDHH-QFIPXVFZSA-N
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