2-[2-(4-chlorophenyl)ethenyl]-5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)ethenyl]-5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[2-(4-chlorophenyl)ethenyl]-5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0238 |
| Compound Name: | 2-[2-(4-chlorophenyl)ethenyl]-5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C26 H26 Cl N3 O3 S |
| Smiles: | CCCCCCOc1ccc(\C=C2/C(n3c(nc(/C=C/c4ccc(cc4)[Cl])n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.9415 |
| logD: | 6.9415 |
| logSw: | -6.4851 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.321 |
| InChI Key: | SXKXMWMXYWDUMN-UHFFFAOYSA-N |