N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide
Compound characteristics
| Compound ID: | K410-0185 |
| Compound Name: | N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]butanamide |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCCC(Nc1c2CS(Cc2nn1c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7941 |
| logD: | 1.794 |
| logSw: | -2.4856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.759 |
| InChI Key: | WCSBJPNCEWXKDQ-UHFFFAOYSA-N |