2-{5-[(4-chlorophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{5-[(4-chlorophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[(4-chlorophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
| Compound ID: | 4428-0009 |
| Compound Name: | 2-{5-[(4-chlorophenyl)methylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C19 H12 Cl N3 O3 S |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C\c3ccc(cc3)[Cl])S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9937 |
| logD: | 3.9937 |
| logSw: | -4.8319 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.034 |
| InChI Key: | ZLRHIXLTPZWQQZ-UHFFFAOYSA-N |