1-(3-chloro-4-methylphenyl)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3-chloro-4-methylphenyl)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0131 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 465.85 |
| Molecular Formula: | C23 H16 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(C)c(c2)[Cl])=O)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0695 |
| logD: | 4.0621 |
| logSw: | -5.248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.342 |
| InChI Key: | HFLOJLGOZDKVAV-UHFFFAOYSA-N |