5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0239 |
| Compound Name: | 5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 472.24 |
| Molecular Formula: | C21 H11 Cl2 N3 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Cl])=O)=O)\c1ccc(c2ccc(c(c2)[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2933 |
| logD: | 3.9806 |
| logSw: | -4.7192 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.041 |
| InChI Key: | BNRMYDJSLDMMCX-UHFFFAOYSA-N |