5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0172 |
| Compound Name: | 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 460.24 |
| Molecular Formula: | C19 H14 Br N3 O6 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2cc(c(c(c2)[Br])O)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7249 |
| logD: | 1.7644 |
| logSw: | -4.0683 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.951 |
| InChI Key: | IXFPPFLKWVPYBB-AWNIVKPZSA-N |