5-chloro-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Chemical Structure Depiction of
5-chloro-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
5-chloro-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0683 |
| Compound Name: | 5-chloro-N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide |
| Molecular Weight: | 462.87 |
| Molecular Formula: | C19 H15 Cl N4 O6 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.269 |
| logD: | 1.0995 |
| logSw: | -3.4529 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.326 |
| InChI Key: | IHHRFZYYXSLYBK-UHFFFAOYSA-N |