ethyl 4-{7-[(3-bromophenyl)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-[(3-bromophenyl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
ethyl 4-{7-[(3-bromophenyl)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: | 5521-0209 |
| Compound Name: | ethyl 4-{7-[(3-bromophenyl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN=C2N(C1)C(/C(=C/c1cccc(c1)[Br])S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9883 |
| logD: | 5.9625 |
| logSw: | -5.5249 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.26 |
| InChI Key: | LHUGJYSDOZJEFO-UHFFFAOYSA-N |