2-ethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
2-ethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
2-ethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
Compound ID: | K410-0486 |
Compound Name: | 2-ethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
Molecular Weight: | 442.45 |
Molecular Formula: | C20 H18 N4 O6 S |
Smiles: | CCOc1ccccc1C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2017 |
logD: | 2.1531 |
logSw: | -2.9848 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 107.293 |
InChI Key: | PLHPOILKSZBWLR-UHFFFAOYSA-N |