2-[4-(hexyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[4-(hexyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[4-(hexyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0102 |
| Compound Name: | 2-[4-(hexyloxy)phenyl]-5-{[4-(pentyloxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C28 H33 N3 O3 S |
| Smiles: | CCCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(cc3)OCCCCC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.5521 |
| logD: | 8.5521 |
| logSw: | -5.8036 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.031 |
| InChI Key: | CODJJKSGCKKRLV-UHFFFAOYSA-N |