N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]pentanamide
Chemical Structure Depiction of
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]pentanamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]pentanamide
Compound characteristics
| Compound ID: | K410-0726 |
| Compound Name: | N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]pentanamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCCCC(Nc1c2CS(Cc2nn1c1cccc(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7441 |
| logD: | 2.744 |
| logSw: | -3.2323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.459 |
| InChI Key: | NOWMVWFRLPJSTR-UHFFFAOYSA-N |