1-(2H-1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3657-2869 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 489.28 |
| Molecular Formula: | C21 H17 Br N2 O7 |
| Smiles: | CCOc1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)cc(c1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1684 |
| logD: | 2.992 |
| logSw: | -3.4603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.434 |
| InChI Key: | ITTFHKUHKZJXBN-UHFFFAOYSA-N |