2-(4-butoxyphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-butoxyphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6000-2085 |
| Compound Name: | 2-(4-butoxyphenyl)-5-{[4-(methylsulfanyl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C22 H21 N3 O2 S2 |
| Smiles: | CCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(cc3)SC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2429 |
| logD: | 6.2429 |
| logSw: | -5.4437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.614 |
| InChI Key: | JQCXJAJUASFIDE-UHFFFAOYSA-N |