5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-2048 |
| Compound Name: | 5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C22 H19 N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3C)n2)S1)=O)\c1ccc(c(c1)OC)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.5573 |
| logD: | 4.5573 |
| logSw: | -4.6106 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.331 |
| InChI Key: | AYEQIQVDJOAQCF-UHFFFAOYSA-N |