2-[4-(pentyloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[4-(pentyloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[4-(pentyloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0003 |
| Compound Name: | 2-[4-(pentyloxy)phenyl]-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C25 H27 N3 O2 S |
| Smiles: | CCCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3ccc(cc3)C(C)C)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4119 |
| logD: | 7.4119 |
| logSw: | -5.5983 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.614 |
| InChI Key: | SZKMFKZHLGDPTQ-UHFFFAOYSA-N |