5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4299-0406 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 443.25 |
| Molecular Formula: | C20 H15 Br N2 O5 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C/c2cc3c(cc2[Br])OCO3)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6857 |
| logD: | 3.5654 |
| logSw: | -3.8924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.506 |
| InChI Key: | XRIHBIVNTBDFKX-UHFFFAOYSA-N |