ethyl (4-bromo-2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
Chemical Structure Depiction of
ethyl (4-bromo-2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
ethyl (4-bromo-2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
Compound characteristics
| Compound ID: | 2082-0083 |
| Compound Name: | ethyl (4-bromo-2-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate |
| Molecular Weight: | 493.74 |
| Molecular Formula: | C21 H18 Br Cl N2 O5 |
| Smiles: | CCOC(COc1ccc(cc1/C=C1/C(NN(C1=O)c1ccc(C)c(c1)[Cl])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4528 |
| logD: | 4.2049 |
| logSw: | -4.488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.504 |
| InChI Key: | YOQXRNNEYOWSFS-UHFFFAOYSA-N |