ethyl (2-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (2-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
ethyl (2-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 4489-8843 |
| Compound Name: | ethyl (2-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C20 H17 Br N2 O5 |
| Smiles: | CCOC(COc1ccccc1/C=C1/C(NN(C1=O)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2567 |
| logD: | 3.0336 |
| logSw: | -3.4644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.504 |
| InChI Key: | MUJBDDJRBQDMFN-UHFFFAOYSA-N |