2-(4-butoxyphenyl)-5-[(pyridin-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-[(pyridin-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-butoxyphenyl)-5-[(pyridin-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0914 |
| Compound Name: | 2-(4-butoxyphenyl)-5-[(pyridin-3-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCCCC)n2)S1)=O)\c1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3635 |
| logD: | 4.3635 |
| logSw: | -3.9948 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.132 |
| InChI Key: | QUIYKOVTGBBZTH-UHFFFAOYSA-N |