N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
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-phenoxyacetamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | K410-0796 |
| 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-phenoxyacetamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0613 |
| logD: | 3.0612 |
| logSw: | -3.4528 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.686 |
| InChI Key: | BOESTSKYTMILSG-UHFFFAOYSA-N |