ethyl [(2-{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(2-{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate
ethyl [(2-{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3374-0713 |
| Compound Name: | ethyl [(2-{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}ethyl)sulfanyl]acetate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H24 N2 O6 S |
| Smiles: | CCOC(CSCCOc1ccc(/C=C2/C(NN(C2=O)c2ccccc2)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.667 |
| logD: | 2.6042 |
| logSw: | -3.0378 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.053 |
| InChI Key: | UXYZNACVCSZQGY-UHFFFAOYSA-N |