1-(3-chloro-4-methylphenyl)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
1-(3-chloro-4-methylphenyl)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 2082-0096 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione |
| Molecular Weight: | 453.84 |
| Molecular Formula: | C22 H16 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.855 |
| logD: | 4.4223 |
| logSw: | -4.9745 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.954 |
| InChI Key: | JHUDEJXREKGWPI-UHFFFAOYSA-N |