methyl 4-({6-oxo-2-[2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({6-oxo-2-[2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
methyl 4-({6-oxo-2-[2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | Y070-3021 |
| Compound Name: | methyl 4-({6-oxo-2-[2-(thiophen-2-yl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C19 H13 N3 O3 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(n3c(nc(/C=C/c4cccs4)n3)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7615 |
| logD: | 3.7615 |
| logSw: | -4.1244 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.379 |
| InChI Key: | QBWQMHXAIKGISF-UHFFFAOYSA-N |