5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0027 |
| Compound Name: | 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 357.28 |
| Molecular Formula: | C16 H11 N3 O7 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(C=C2C(NC(NC2=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.9866 |
| logD: | 1.6287 |
| logSw: | -2.9386 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.837 |
| InChI Key: | GEMHZVVKWYEHJV-UHFFFAOYSA-N |