5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 1058-0147 |
| Compound Name: | 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 307.22 |
| Molecular Formula: | C12 H9 N3 O7 |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=O)=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.423 |
| logD: | -0.651 |
| logSw: | -2.1646 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.833 |
| InChI Key: | GZXLKOCDOQWOTR-UHFFFAOYSA-N |