4-{[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
4-{[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 5629-0475 |
| Compound Name: | 4-{[2-(4-tert-butylphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)C(C)(C)C)n2)S1)=O)\c1ccc(c(c1)OC)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3978 |
| logD: | 5.3978 |
| logSw: | -5.5812 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.664 |
| InChI Key: | GQOFLBUFAMMNMR-UHFFFAOYSA-N |