2-(2,3-dihydro-1,4-benzodioxin-2-yl)-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-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-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: | 5629-0100 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 497.45 |
| Molecular Formula: | C24 H14 F3 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c2cccc(c2)C(F)(F)F)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7314 |
| logD: | 5.7314 |
| logSw: | -6.0752 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.203 |
| InChI Key: | HGVPNPNTLBQWPM-IBGZPJMESA-N |