5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0498 |
| Compound Name: | 5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 451.82 |
| Molecular Formula: | C22 H14 Cl N3 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccc(c3ccc(cc3[Cl])[N+]([O-])=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3842 |
| logD: | 4.0715 |
| logSw: | -4.7729 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.342 |
| InChI Key: | YWZMKMVFPOMIIB-UHFFFAOYSA-N |