N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-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]-3-nitrobenzamide
N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0671 |
| Compound Name: | N-[2-(4-methoxyphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C19 H16 N4 O6 S |
| Smiles: | COc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9254 |
| logD: | 1.89 |
| logSw: | -2.8226 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.627 |
| InChI Key: | BLYSKRMSGHKOGV-UHFFFAOYSA-N |