3-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
3-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
Compound characteristics
| Compound ID: | K410-0099 |
| Compound Name: | 3-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CC(C)CC(Nc1c2CS(Cc2nn1c1ccccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3437 |
| logD: | 2.343 |
| logSw: | -2.7094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.459 |
| InChI Key: | KJGZOYWMNHDASX-UHFFFAOYSA-N |