2-[2-(2,4-dichlorophenyl)ethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[2-(2,4-dichlorophenyl)ethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[2-(2,4-dichlorophenyl)ethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-1861 |
| Compound Name: | 2-[2-(2,4-dichlorophenyl)ethenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 442.37 |
| Molecular Formula: | C22 H17 Cl2 N3 O S |
| Smiles: | CC(C)c1ccc(/C=C2/C(n3c(nc(/C=C/c4ccc(cc4[Cl])[Cl])n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.925 |
| logD: | 6.925 |
| logSw: | -6.6367 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.187 |
| InChI Key: | ABYRHQKCUKPNRQ-UHFFFAOYSA-N |