5-{[3-methoxy-4-(octyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(octyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(octyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5606-3435 |
| Compound Name: | 5-{[3-methoxy-4-(octyloxy)phenyl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCCCCCCCOc1ccc(\C=C2/C(n3c(nc(c4cccnc4)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.7422 |
| logD: | 5.675 |
| logSw: | -5.1473 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.849 |
| InChI Key: | IHOWECNWQVNHCX-UHFFFAOYSA-N |