2-[4-(hexyloxy)phenyl]-5-[(thiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[4-(hexyloxy)phenyl]-5-[(thiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[4-(hexyloxy)phenyl]-5-[(thiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0094 |
| Compound Name: | 2-[4-(hexyloxy)phenyl]-5-[(thiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C21 H21 N3 O2 S2 |
| Smiles: | CCCCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3cccs3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2507 |
| logD: | 6.2507 |
| logSw: | -5.3258 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.632 |
| InChI Key: | OOOXVLFNEAFQCM-UHFFFAOYSA-N |