2-({4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Chemical Structure Depiction of
2-({4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
2-({4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | 3358-3501 |
| Compound Name: | 2-({4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzonitrile |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C26 H21 N3 O4 |
| Smiles: | CCOc1cc(\C=C2/C(NN(C2=O)c2ccccc2)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.2143 |
| logD: | 3.1515 |
| logSw: | -3.5821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.34 |
| InChI Key: | FLTLRSVRHUSDDN-UHFFFAOYSA-N |