5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2237-1557 |
| Compound Name: | 5-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 371.3 |
| Molecular Formula: | C17 H13 N3 O7 |
| Smiles: | CN1C(C(=Cc2ccc(c3cc(ccc3O)[N+]([O-])=O)o2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.966 |
| logD: | 1.7275 |
| logSw: | -3.2526 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.625 |
| InChI Key: | ZQLWTUPDTOKSBA-UHFFFAOYSA-N |