4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3202-0268 |
| Compound Name: | 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenyl 2-nitrobenzene-1-sulfonate |
| Molecular Weight: | 495.47 |
| Molecular Formula: | C23 H17 N3 O8 S |
| Smiles: | COc1cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)ccc1OS(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4918 |
| logD: | 2.4291 |
| logSw: | -3.0042 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.319 |
| InChI Key: | HJRPQDUCRGBRJM-UHFFFAOYSA-N |