5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3202-0329 |
| Compound Name: | 5-[(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 517.4 |
| Molecular Formula: | C23 H21 Br N2 O5 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)cc(c1OCCOc1ccccc1CC=C)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8549 |
| logD: | 4.4293 |
| logSw: | -4.6713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.08 |
| InChI Key: | MDJYHCOMCYXFAZ-UHFFFAOYSA-N |