5-chloro-N-[2-(3-chlorophenyl)-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-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
5-chloro-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
Compound characteristics
| Compound ID: | K410-0330 |
| Compound Name: | 5-chloro-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide |
| Molecular Weight: | 452.31 |
| Molecular Formula: | C19 H15 Cl2 N3 O4 S |
| Smiles: | COc1ccc(cc1C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2952 |
| logD: | 2.3336 |
| logSw: | -3.7448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.332 |
| InChI Key: | IKWOHLAJAIGSAB-UHFFFAOYSA-N |