N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide

Chemical Structure Depiction of
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Available: 56 mg
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mg
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Compound characteristics

Compound ID: K410-0761
Compound Name: N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Molecular Weight: 426.45
Molecular Formula: C20 H18 N4 O5 S
Smiles: Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1[N+]([O-])=O)=O
Stereo: ACHIRAL
logP: 2.7259
logD: 2.3945
logSw: -3.6387
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 99.481
InChI Key: RPNPURAGDCPJOU-UHFFFAOYSA-N
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