5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0033 |
| Compound Name: | 5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C19 H17 N3 O7 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(C=C2C(N(C)C(N(C)C2=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2315 |
| logD: | 3.2315 |
| logSw: | -3.7448 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.899 |
| InChI Key: | KIPFRQJZZZOZAC-UHFFFAOYSA-N |