3-(ethylsulfanyl)-6-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Available: 1 mg
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mg
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Compound characteristics

Compound ID: 1927-8049
Compound Name: 3-(ethylsulfanyl)-6-(6-nitro-2H-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Molecular Weight: 425.42
Molecular Formula: C19 H15 N5 O5 S
Smiles: CCSc1nc2c(c3ccccc3NC(c3cc4c(cc3[N+]([O-])=O)OCO4)O2)nn1
Stereo: RACEMIC MIXTURE
logP: 3.6916
logD: 3.6916
logSw: -4.0102
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 102.493
InChI Key: PZQDIQULBGDZJG-KRWDZBQOSA-N
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