ethyl 4-{6-oxo-7-[(pyridin-3-yl)methylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{6-oxo-7-[(pyridin-3-yl)methylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
ethyl 4-{6-oxo-7-[(pyridin-3-yl)methylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | 8011-6081 |
| Compound Name: | ethyl 4-{6-oxo-7-[(pyridin-3-yl)methylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN=C2N(C1)C(/C(=C/c1cccnc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.046 |
| logD: | 4.0202 |
| logSw: | -3.804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.778 |
| InChI Key: | QWDVFZBRWAIGJF-UHFFFAOYSA-N |