5-{[4-(pentyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(pentyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(pentyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3247 |
| Compound Name: | 5-{[4-(pentyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCCCCOc1ccc(/C=C2/C(n3c(nc(c4cccnc4)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5932 |
| logD: | 4.5259 |
| logSw: | -4.1912 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.132 |
| InChI Key: | MQVHCBYKRFVGAW-UHFFFAOYSA-N |