5-[(4-butoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-butoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-butoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0042 |
| Compound Name: | 5-[(4-butoxyphenyl)methylidene]-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(cc3)OCCCC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.506 |
| logD: | 7.506 |
| logSw: | -5.6103 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.031 |
| InChI Key: | MELHEWKEBKQBSA-UHFFFAOYSA-N |