1-(4-chlorophenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(4-chlorophenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0096 |
| Compound Name: | 1-(4-chlorophenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 481.85 |
| Molecular Formula: | C23 H16 Cl N3 O7 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4752 |
| logD: | 4.1625 |
| logSw: | -4.6983 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.165 |
| InChI Key: | NQWCHGJDGPQBCT-UHFFFAOYSA-N |