1-(3,4-dichlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
1-(3,4-dichlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 2082-0569 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]pyrazolidine-3,5-dione |
| Molecular Weight: | 424.19 |
| Molecular Formula: | C17 H11 Cl2 N3 O6 |
| Smiles: | COc1cc(/C=C2/C(NN(C2=O)c2ccc(c(c2)[Cl])[Cl])=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3755 |
| logD: | 2.3015 |
| logSw: | -3.6648 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.95 |
| InChI Key: | UXPDAIRBPHPGNP-UHFFFAOYSA-N |