1-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Chemical Structure Depiction of
1-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
1-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 2083-1882 |
| Compound Name: | 1-(3-bromophenyl)-4-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione |
| Molecular Weight: | 488.68 |
| Molecular Formula: | C20 H11 Br Cl N3 O5 |
| Smiles: | C(=C1/C(NN(C1=O)c1cccc(c1)[Br])=O)\c1ccc(c2cc(ccc2[Cl])[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8287 |
| logD: | 4.4566 |
| logSw: | -5.1019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.711 |
| InChI Key: | MYFXTVMHNQPGSY-UHFFFAOYSA-N |