N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
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-methylbenzamide
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-methylbenzamide
Compound characteristics
| Compound ID: | K410-0835 |
| 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-methylbenzamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1cccc(c1)C(Nc1c2CS(Cc2nn1c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6134 |
| logD: | 3.5826 |
| logSw: | -3.9498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | BXJPAEZKMWDMKZ-UHFFFAOYSA-N |