5-bromo-2-chloro-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
5-bromo-2-chloro-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
5-bromo-2-chloro-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0141 |
| Compound Name: | 5-bromo-2-chloro-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 480.77 |
| Molecular Formula: | C19 H15 Br Cl N3 O3 S |
| Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1[Cl])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9571 |
| logD: | 3.5647 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | JDIIZGWLLJBOBC-UHFFFAOYSA-N |