ethyl 2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
ethyl 2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0166 |
| Compound Name: | ethyl 2-chloro-5-{5-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C23 H17 Cl N2 O5 |
| Smiles: | CCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(NN(C2=O)c2ccccc2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 4.5613 |
| logSw: | -4.8631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.083 |
| InChI Key: | NLGNIMHYCSWSIB-UHFFFAOYSA-N |