5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-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-[(pyridin-2-yl)methyl]-1H-pyrazole-3-carboxamide
5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0269 |
| Compound Name: | 5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(pyridin-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(NCc2ccccn2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4599 |
| logD: | 2.4595 |
| logSw: | -2.76 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.288 |
| InChI Key: | HEUZJIRCLQKHKL-LJQANCHMSA-N |