5-[(3-chlorophenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(3-chlorophenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(3-chlorophenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-1517 |
| Compound Name: | 5-[(3-chlorophenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 397.84 |
| Molecular Formula: | C19 H12 Cl N3 O3 S |
| Smiles: | C1C(c2nc3n(C(/C(=C/c4cccc(c4)[Cl])S3)=O)n2)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2488 |
| logD: | 4.2488 |
| logSw: | -4.5433 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.633 |
| InChI Key: | ICYIBZLUKGNOGC-HNNXBMFYSA-N |