1-(3-chloro-4-methoxyphenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3-chloro-4-methoxyphenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0159 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 511.87 |
| Molecular Formula: | C24 H18 Cl N3 O8 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(c(c2)[Cl])OC)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2558 |
| logD: | 3.2483 |
| logSw: | -4.627 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.795 |
| InChI Key: | HSNRDAAQOMDHGI-UHFFFAOYSA-N |