3-bromo-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
3-bromo-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0751 |
| Compound Name: | 3-bromo-N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 460.35 |
| Molecular Formula: | C20 H18 Br N3 O3 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.886 |
| logD: | 3.8723 |
| logSw: | -4.083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | WVDQLBUWSHBZFU-UHFFFAOYSA-N |