N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D627-0289 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | Cc1ccc(cc1C)c1cc(C(NCCc2ccc(c(c2)OC)OC)=O)nn1C1CCS(C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8203 |
| logD: | 2.8203 |
| logSw: | -3.3933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.847 |
| InChI Key: | PYIXRFVIVQALPG-OAQYLSRUSA-N |