2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6000-2084 |
| Compound Name: | 2-(4-butoxyphenyl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C21 H18 F N3 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3cccc(c3)F)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5456 |
| logD: | 5.5456 |
| logSw: | -5.3484 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.614 |
| InChI Key: | ZRCUJWQDHSIQEY-UHFFFAOYSA-N |