2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Chemical Structure Depiction of
2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Available: 1 mg
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mg
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Compound characteristics

Compound ID: 3214-0087
Compound Name: 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Molecular Weight: 409.29
Molecular Formula: C17 H14 Cl2 N4 O2 S
Smiles: C1CCc2c(C#N)c(N3C(Nc4cc(c(cc4N3O)[Cl])[Cl])=O)sc2CC1
Stereo: ACHIRAL
logP: 5.0836
logD: 4.9446
logSw: -5.4075
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 2
Polar surface area: 66.992
InChI Key: MJFPODSCRGQGCI-UHFFFAOYSA-N
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