1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3684-2449 |
| Compound Name: | 1-(4-bromophenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 462.21 |
| Molecular Formula: | C18 H12 Br N3 O7 |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)[Br])=O)=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7633 |
| logD: | 1.6894 |
| logSw: | -3.2972 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.581 |
| InChI Key: | BPJGKTITDIKVDQ-UHFFFAOYSA-N |