2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0775 |
| Compound Name: | 2-chloro-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-5-nitrobenzamide |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C20 H17 Cl N4 O5 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5093 |
| logD: | 3.3373 |
| logSw: | -4.0219 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.782 |
| InChI Key: | DNWVDBPCFUUTEV-UHFFFAOYSA-N |