5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(furan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(furan-2-yl)methyl]-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(furan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0254 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(furan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(NCc2ccco2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1204 |
| logD: | 3.1204 |
| logSw: | -3.3468 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.494 |
| InChI Key: | HSJUOXOZEBUVDL-QGZVFWFLSA-N |