N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
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]-3,5-dimethylbenzamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide
Compound characteristics
| Compound ID: | K410-0780 |
| Compound Name: | N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,5-dimethylbenzamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)C(Nc1c2CS(Cc2nn1c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8873 |
| logD: | 3.8667 |
| logSw: | -4.0399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | BGDRLSKDAYXJQL-UHFFFAOYSA-N |