methyl 4-{[6-oxo-2-(2-phenylethenyl)[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-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[6-oxo-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | Y070-2679 |
| Compound Name: | methyl 4-{[6-oxo-2-(2-phenylethenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C21 H15 N3 O3 S |
| Smiles: | COC(c1ccc(/C=C2/C(n3c(nc(/C=C/c4ccccc4)n3)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3021 |
| logD: | 4.3021 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.36 |
| InChI Key: | ZKHHCRDNTDJJHL-UHFFFAOYSA-N |