5-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
5-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | K410-0872 |
| Compound Name: | 5-chloro-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.906 |
| logD: | 3.2791 |
| logSw: | -4.3773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.031 |
| InChI Key: | LLMNFXKOOYLJCT-UHFFFAOYSA-N |