N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
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]-3-phenylprop-2-enamide
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K410-0801 |
| Compound Name: | N-[2-(2,3-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-phenylprop-2-enamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | Cc1cccc(c1C)n1c(c2CS(Cc2n1)(=O)=O)NC(/C=C\c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8712 |
| logD: | 3.8712 |
| logSw: | -4.078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.187 |
| InChI Key: | IFQTYFDOPLCUBC-UHFFFAOYSA-N |