1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-N-[(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-N-[(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-N-[(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0154 |
| Compound Name: | 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methylphenyl)-N-[(pyridin-4-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(C(NCc2ccncc2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5743 |
| logD: | 1.5709 |
| logSw: | -2.1136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.173 |
| InChI Key: | BOKWKGMXNCBPPN-GOSISDBHSA-N |