2-[4-(pentyloxy)phenyl]-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[4-(pentyloxy)phenyl]-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[4-(pentyloxy)phenyl]-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0467 |
| Compound Name: | 2-[4-(pentyloxy)phenyl]-5-({2-[(prop-2-en-1-yl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccccc3OCC=C)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1558 |
| logD: | 7.1558 |
| logSw: | -5.7694 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.118 |
| InChI Key: | PSWRSGABNMPEHY-UHFFFAOYSA-N |