2-bromo-4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4285-2679 |
| Compound Name: | 2-bromo-4-{[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 459.29 |
| Molecular Formula: | C21 H19 Br N2 O5 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(NN(C2=O)c2ccc(C)c(C)c2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.7753 |
| logD: | 3.551 |
| logSw: | -4.115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.315 |
| InChI Key: | HIAHMCRLZOBVJB-UHFFFAOYSA-N |