N-benzyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
N-benzyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D473-1941 |
| Compound Name: | N-benzyl-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(NCc2ccccc2)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4898 |
| logD: | 2.4898 |
| logSw: | -3.0058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.289 |
| InChI Key: | QQCNIVYCBKHIHT-GOSISDBHSA-N |