N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide
Compound characteristics
| Compound ID: | K410-0311 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-4-ethoxybenzamide |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C20 H18 Cl N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0006 |
| logD: | 2.9891 |
| logSw: | -3.7526 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.825 |
| InChI Key: | GADKWCKVVLHHKQ-UHFFFAOYSA-N |