methyl 5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Chemical Structure Depiction of
methyl 5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
methyl 5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | 2082-0120 |
| Compound Name: | methyl 5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate |
| Molecular Weight: | 501.72 |
| Molecular Formula: | C22 H14 Br Cl N2 O5 |
| Smiles: | COC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(NN(C2=O)c2ccc(cc2)[Br])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0418 |
| logD: | 4.6456 |
| logSw: | -5.2303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.504 |
| InChI Key: | GWOGKICARAWQSG-UHFFFAOYSA-N |