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
N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
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: | K410-0670 |
| Compound Name: | 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: | 428.42 |
| Molecular Formula: | C19 H16 N4 O6 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6682 |
| logD: | 1.2305 |
| logSw: | -2.6969 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.326 |
| InChI Key: | VHHARUOMHVBVCD-UHFFFAOYSA-N |