2,3-dimethoxy-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
2,3-dimethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
2,3-dimethoxy-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: | K410-0512 |
| Compound Name: | 2,3-dimethoxy-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 458.45 |
| Molecular Formula: | C20 H18 N4 O7 S |
| Smiles: | COc1cccc(C(Nc2c3CS(Cc3nn2c2ccc(cc2)[N+]([O-])=O)(=O)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7324 |
| logD: | 1.7199 |
| logSw: | -2.6019 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.43 |
| InChI Key: | GUTBRUVVSYICPM-UHFFFAOYSA-N |