2-(6-oxo-5-{[4-(pentyloxy)phenyl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(6-oxo-5-{[4-(pentyloxy)phenyl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(6-oxo-5-{[4-(pentyloxy)phenyl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 4341-3287 |
| Compound Name: | 2-(6-oxo-5-{[4-(pentyloxy)phenyl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CCCCCOc1ccc(/C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3815 |
| logD: | 5.3815 |
| logSw: | -5.337 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.451 |
| InChI Key: | NEVCHRJYFQUKMZ-UHFFFAOYSA-N |