4-ethoxy-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-ethoxy-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-ethoxy-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0129 |
| Compound Name: | 4-ethoxy-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(Nc1c2CS(Cc2nn1c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8961 |
| logD: | 2.8915 |
| logSw: | -3.4726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.524 |
| InChI Key: | XDTWAJZDTKKORJ-UHFFFAOYSA-N |