2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0086 |
| Compound Name: | 2-phenyl-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 439.41 |
| Molecular Formula: | C22 H12 F3 N3 O2 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3)n2)S1)=O)\c1ccc(c2cccc(c2)C(F)(F)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.0077 |
| logD: | 6.0077 |
| logSw: | -6.1811 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.766 |
| InChI Key: | VLHKPQGSCSIICL-UHFFFAOYSA-N |