5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3609-0260 |
| Compound Name: | 5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 411.37 |
| Molecular Formula: | C20 H17 N3 O7 |
| Smiles: | Cc1cccc(c1)N1C(C(=C/c2cc(c(cc2[N+]([O-])=O)OC)OC)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1474 |
| logD: | 2.0383 |
| logSw: | -2.8685 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.732 |
| InChI Key: | RTDNNQZWEXCNES-UHFFFAOYSA-N |