N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0685 |
| Compound Name: | N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C20 H18 N4 O6 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1c2CS(Cc2nn1c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2204 |
| logD: | 2.1087 |
| logSw: | -2.9987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.326 |
| InChI Key: | DSYUYCJMLXRKPZ-UHFFFAOYSA-N |