5-chloro-2-methoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
5-chloro-2-methoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0508 |
| Compound Name: | 5-chloro-2-methoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 462.87 |
| Molecular Formula: | C19 H15 Cl N4 O6 S |
| Smiles: | COc1ccc(cc1C(Nc1c2CS(Cc2nn1c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5864 |
| logD: | 2.2992 |
| logSw: | -3.5482 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.713 |
| InChI Key: | FBELJMGQGZCAKB-UHFFFAOYSA-N |