5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Chemical Structure Depiction of
5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8008-6522 |
| Compound Name: | 5-(5-{[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid |
| Molecular Weight: | 487.69 |
| Molecular Formula: | C21 H12 Br Cl N2 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1ccc(cc1)[Br])=O)\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6969 |
| logD: | 0.2666 |
| logSw: | -4.6173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.738 |
| InChI Key: | WLQQMFYMGLVBFP-UHFFFAOYSA-N |