5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4058-0034 |
| Compound Name: | 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 462.21 |
| Molecular Formula: | C18 H12 Br N3 O7 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2cc(c(c(c2)[Br])O)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.672 |
| logD: | 0.7115 |
| logSw: | -3.1858 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.494 |
| InChI Key: | CVZGAXVWPMDOKG-UHFFFAOYSA-N |