5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5606-3347 |
| Compound Name: | 5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCCCCCCOc1ccc(/C=C2/C(n3c(nc(c4ccncc4)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4779 |
| logD: | 5.4777 |
| logSw: | -5.2046 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.759 |
| InChI Key: | MYLAJPYJMOBILZ-UHFFFAOYSA-N |