methyl 4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 6187-2102 |
| Compound Name: | methyl 4-{[6-oxo-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
| Molecular Weight: | 453.47 |
| Molecular Formula: | C22 H19 N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cc(c(c(c3)OC)OC)OC)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6644 |
| logD: | 3.6644 |
| logSw: | -4.0316 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.348 |
| InChI Key: | KFZXKNXIHUOBTD-UHFFFAOYSA-N |