2-{5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Chemical Structure Depiction of
2-{5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
2-{5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Compound characteristics
Compound ID: | 5629-0864 |
Compound Name: | 2-{5-[3-(2-methoxyphenyl)prop-2-en-1-ylidene]-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate |
Molecular Weight: | 419.46 |
Molecular Formula: | C22 H17 N3 O4 S |
Smiles: | [H]C(\C=C/c1ccccc1OC)=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O |
Stereo: | ACHIRAL |
logP: | 4.0759 |
logD: | 4.0759 |
logSw: | -4.5261 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.664 |
InChI Key: | BBYDMGWTXVIQBJ-UHFFFAOYSA-N |