methyl 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
methyl 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 4482-3236 |
| Compound Name: | methyl 4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C18 H14 N2 O4 |
| Smiles: | COC(c1ccc(\C=C2/C(NN(C2=O)c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4298 |
| logD: | 2.3671 |
| logSw: | -2.6573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.934 |
| InChI Key: | XYMCIPBCXLLKOA-UHFFFAOYSA-N |