2-(4-chlorophenoxy)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]acetamide
2-(4-chlorophenoxy)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]acetamide
Compound characteristics
| Compound ID: | K410-0524 |
| Compound Name: | 2-(4-chlorophenoxy)-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]acetamide |
| Molecular Weight: | 462.87 |
| Molecular Formula: | C19 H15 Cl N4 O6 S |
| Smiles: | C(C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5702 |
| logD: | 2.5701 |
| logSw: | -3.326 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.368 |
| InChI Key: | XVPDPYLKABTDJE-UHFFFAOYSA-N |