2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3-fluorophenyl)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-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0773 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[(3-fluorophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C19 H12 F N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7319 |
| logD: | 3.7319 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.633 |
| InChI Key: | SIIRFAIPBFURCD-HNNXBMFYSA-N |