2-(4-butoxyphenyl)-5-{[3-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-{[3-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-butoxyphenyl)-5-{[3-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-3180 |
| Compound Name: | 2-(4-butoxyphenyl)-5-{[3-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCCCCOc1cccc(/C=C2/C(n3c(nc(c4ccc(cc4)OCCCC)n3)S2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4808 |
| logD: | 7.4808 |
| logSw: | -5.5338 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.031 |
| InChI Key: | GIBBVKQGOAKXLS-UHFFFAOYSA-N |