5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0023 |
| Compound Name: | 5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 341.28 |
| Molecular Formula: | C16 H11 N3 O6 |
| Smiles: | Cc1ccc(cc1c1ccc(C=C2C(NC(NC2=O)=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3082 |
| logD: | 1.9504 |
| logSw: | -3.0608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.594 |
| InChI Key: | RCLZDPJQKYDEOF-UHFFFAOYSA-N |