{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Chemical Structure Depiction of
{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
{4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Compound characteristics
| Compound ID: | 3736-0127 |
| Compound Name: | {4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetonitrile |
| Molecular Weight: | 349.34 |
| Molecular Formula: | C19 H15 N3 O4 |
| Smiles: | COc1cc(/C=C2/C(NN(C2=O)c2ccccc2)=O)ccc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.3988 |
| logD: | 1.3361 |
| logSw: | -2.0434 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | HLTQPMPYCDEFBR-UHFFFAOYSA-N |