ethyl 4-{7-[(3-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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: | 4268-0030 |
| Compound Name: | ethyl 4-{7-[(3-nitrophenyl)methylidene]-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl}benzoate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1CN=C2N(C1)C(/C(=C/c1cccc(c1)[N+]([O-])=O)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0144 |
| logD: | 4.9886 |
| logSw: | -4.6858 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.641 |
| InChI Key: | LNSBLDRFUZADKJ-UHFFFAOYSA-N |