2-[2-(4-chlorophenyl)ethenyl]-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)ethenyl]-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[2-(4-chlorophenyl)ethenyl]-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0221 |
| Compound Name: | 2-[2-(4-chlorophenyl)ethenyl]-5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 482 |
| Molecular Formula: | C25 H24 Cl N3 O3 S |
| Smiles: | CCCCCOc1ccc(\C=C2/C(n3c(nc(/C=C/c4ccc(cc4)[Cl])n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.4456 |
| logD: | 6.4456 |
| logSw: | -6.4056 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.321 |
| InChI Key: | FULBENWOGXZNNL-UHFFFAOYSA-N |