2-(5-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(5-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 3215-2013 |
| Compound Name: | 2-(5-{[4-(acetyloxy)-3-ethoxyphenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | CCOc1cc(\C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)ccc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0567 |
| logD: | 3.0567 |
| logSw: | -3.4768 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.082 |
| InChI Key: | LWDBMUCDIDFULC-UHFFFAOYSA-N |