2-(4-bromophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-bromophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0874 |
| Compound Name: | 2-(4-bromophenyl)-5-({3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C21 H16 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)[Br])n2)S1)=O)\c1ccc(c(c1)OC)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.3078 |
| logD: | 5.3078 |
| logSw: | -5.4855 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.331 |
| InChI Key: | RFPOEDMXGYBKNL-UHFFFAOYSA-N |