4-({2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
Chemical Structure Depiction of
4-({2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
4-({2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-1-phenylpyrazolidine-3,5-dione
Compound characteristics
| Compound ID: | 3584-0997 |
| Compound Name: | 4-({2-[2-(4-methylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-1-phenylpyrazolidine-3,5-dione |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | Cc1ccc(cc1)OCCOc1ccc(cc1\C=C1/C(NN(C1=O)c1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3756 |
| logD: | 4.3433 |
| logSw: | -4.3683 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.792 |
| InChI Key: | AQLMRUSCMWKTTR-UHFFFAOYSA-N |