3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0246 |
| Compound Name: | 3,4,5-triethoxy-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C25 H29 N3 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1c2CS(Cc2nn1c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1601 |
| logD: | 3.16 |
| logSw: | -3.429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.419 |
| InChI Key: | IBXUFHKEZZHKLZ-UHFFFAOYSA-N |