2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]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-[(prop-2-en-1-yl)oxy]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-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0880 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c(c1)OC)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0925 |
| logD: | 4.0925 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.768 |
| InChI Key: | QCVJMCYLSNTKHC-IBGZPJMESA-N |