ethyl 4-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
ethyl 4-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3358-3651 |
| Compound Name: | ethyl 4-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C23 H18 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1297 |
| logD: | 4.061 |
| logSw: | -4.132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.083 |
| InChI Key: | LRIVHBGJSNUONR-UHFFFAOYSA-N |