5-[(3-chlorophenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(3-chlorophenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(3-chlorophenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0011 |
| Compound Name: | 5-[(3-chlorophenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C22 H20 Cl N3 O2 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3cccc(c3)[Cl])S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6126 |
| logD: | 6.6126 |
| logSw: | -6.3495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.614 |
| InChI Key: | SECMFNOGWQGDGG-UHFFFAOYSA-N |