4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | Y070-1514 |
| Compound Name: | 4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C22 H17 N3 O6 S |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(n3c(nc(C4COc5ccccc5O4)n3)S2)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2219 |
| logD: | 3.2219 |
| logSw: | -3.5157 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.101 |
| InChI Key: | CJSZMSUBRRKVNM-SFHVURJKSA-N |