5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0290 |
| Compound Name: | 5-{[4-(benzyloxy)-5-methoxy-2-nitrophenyl]methylidene}-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 507.89 |
| Molecular Formula: | C25 H18 Cl N3 O7 |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)c(cc1OCc1ccccc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5847 |
| logD: | 3.1872 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.416 |
| InChI Key: | ZJXDMWKQCKSLKY-UHFFFAOYSA-N |