1-(3-bromophenyl)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
1-(3-bromophenyl)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 2083-1885 |
| Compound Name: | 1-(3-bromophenyl)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione |
| Molecular Weight: | 484.26 |
| Molecular Formula: | C21 H14 Br N3 O6 |
| Smiles: | COc1cc(ccc1c1ccc(/C=C2/C(NN(C2=O)c2cccc(c2)[Br])=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.441 |
| logD: | 4.0688 |
| logSw: | -4.5016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.342 |
| InChI Key: | STQJWFUIIRABQK-UHFFFAOYSA-N |