2-chloro-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-chloro-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl 4-methylbenzene-1-sulfonate
2-chloro-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3584-1645 |
| Compound Name: | 2-chloro-4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-6-methoxyphenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C24 H19 Cl N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1c(cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.3254 |
| logD: | 4.2627 |
| logSw: | -4.6618 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.325 |
| InChI Key: | JPCKPSBXDYZWCE-UHFFFAOYSA-N |