5-{[4-(benzyloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(benzyloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(benzyloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0044 |
| Compound Name: | 5-{[4-(benzyloxy)phenyl]methylidene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(cc3)OCc3ccccc3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4881 |
| logD: | 7.4881 |
| logSw: | -5.7394 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.841 |
| InChI Key: | RFOOHKHIXUSISV-UHFFFAOYSA-N |