5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0493 |
| Compound Name: | 5-[(3,4-diethoxyphenyl)methylidene]-2-[4-(hexyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(c(c3)OCC)OCC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6595 |
| logD: | 6.6595 |
| logSw: | -5.5976 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.034 |
| InChI Key: | BTGVCIUZPDQXFF-UHFFFAOYSA-N |