N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide
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]-3,4,5-triethoxybenzamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide
Compound characteristics
| Compound ID: | K410-0786 |
| Compound Name: | N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C26 H31 N3 O6 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(Nc1c2CS(Cc2nn1c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7768 |
| logD: | 3.7767 |
| logSw: | -4.0375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.118 |
| InChI Key: | OBZWFRGFUNXLBL-UHFFFAOYSA-N |