2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[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)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Available: 124 mg
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mg
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Compound characteristics

Compound ID: 3214-0088
Compound Name: 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Molecular Weight: 423.32
Molecular Formula: C18 H16 Cl2 N4 O2 S
Smiles: C1CCCc2c(CC1)c(C#N)c(N1C(Nc3cc(c(cc3N1O)[Cl])[Cl])=O)s2
Stereo: ACHIRAL
logP: 5.5795
logD: 5.4405
logSw: -6.0098
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 2
Polar surface area: 66.992
InChI Key: KMFHVIJWPNBNJI-UHFFFAOYSA-N
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