5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4489-9455 |
| Compound Name: | 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-(3-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 477.33 |
| Molecular Formula: | C20 H17 Br N2 O5 S |
| Smiles: | CCOc1cccc(c1)N1C(C(=C/c2cc(c(c(c2)[Br])O)OC)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3289 |
| logD: | 3.1033 |
| logSw: | -3.468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.462 |
| InChI Key: | JUPVHHKYTIKFIB-UHFFFAOYSA-N |