5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0086 |
| Compound Name: | 5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C22 H15 N3 O6 |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6931 |
| logD: | 3.3804 |
| logSw: | -4.0395 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.342 |
| InChI Key: | BVJNGWZNCPYMFE-UHFFFAOYSA-N |