2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-methoxy-4-(pentyloxy)phenyl]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-methoxy-4-(pentyloxy)phenyl]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-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0654 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c(c1)OC)OCCCCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3537 |
| logD: | 5.3537 |
| logSw: | -5.2315 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.768 |
| InChI Key: | DYGGXZYQPSTUAI-NRFANRHFSA-N |