4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl acetate
4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2082-0071 |
| Compound Name: | 4-{[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(NN(C2=O)c2ccc(C)c(c2)[Cl])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2634 |
| logD: | 2.8569 |
| logSw: | -3.8544 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.228 |
| InChI Key: | QZFCSQMVFKMKBN-UHFFFAOYSA-N |