N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | K410-0874 |
| Compound Name: | N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8666 |
| logD: | 2.8655 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.661 |
| InChI Key: | ZZFKHKAGDHBIQI-UHFFFAOYSA-N |