4-[(4-bromo-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
Chemical Structure Depiction of
4-[(4-bromo-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
4-[(4-bromo-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 8005-7173 |
| Compound Name: | 4-[(4-bromo-3-nitrophenyl)methylidene]-1-(3,4-dimethylphenyl)pyrazolidine-3,5-dione |
| Molecular Weight: | 416.23 |
| Molecular Formula: | C18 H14 Br N3 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(C(=C\c2ccc(c(c2)[N+]([O-])=O)[Br])\C(N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.145 |
| logD: | 3.9208 |
| logSw: | -4.3958 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.84 |
| InChI Key: | YEFHOSARJKQBJJ-UHFFFAOYSA-N |