ethyl 4-{7-[(5-iodofuran-2-yl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{7-[(5-iodofuran-2-yl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
ethyl 4-{7-[(5-iodofuran-2-yl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | 4268-0092 |
| Compound Name: | ethyl 4-{7-[(5-iodofuran-2-yl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate |
| Molecular Weight: | 509.32 |
| Molecular Formula: | C19 H16 I N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN=C2N(C1)C(/C(=C/c1ccc(o1)I)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6741 |
| logD: | 5.6646 |
| logSw: | -5.4688 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.291 |
| InChI Key: | ADLXGZJQQDUNHX-UHFFFAOYSA-N |