3-(2H-1,3-benzodioxol-5-yl)-N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}prop-2-enamide
Compound characteristics
| Compound ID: | G786-2107 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}prop-2-enamide |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1)c1nc2n(c(CCNC(/C=C/c3ccc4c(c3)OCO4)=O)cs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 4.4583 |
| logSw: | -4.3838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.144 |
| InChI Key: | DXQSPTNGPUWYJY-UHFFFAOYSA-N |