4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Chemical Structure Depiction of
4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate
Compound characteristics
| Compound ID: | 3202-0278 |
| Compound Name: | 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl benzenesulfonate |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C23 H18 N2 O6 S |
| Smiles: | COc1cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)ccc1OS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7886 |
| logD: | 2.7259 |
| logSw: | -3.5691 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.238 |
| InChI Key: | FNFBQNZSTHCMMI-UHFFFAOYSA-N |