methyl 4-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate
methyl 4-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3174-0174 |
| Compound Name: | methyl 4-{[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate |
| Molecular Weight: | 356.76 |
| Molecular Formula: | C18 H13 Cl N2 O4 |
| Smiles: | COC(c1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1461 |
| logD: | 2.7746 |
| logSw: | -3.8697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.934 |
| InChI Key: | WZHHIFNTYWHAOZ-UHFFFAOYSA-N |