2-(5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 4341-3290 |
| Compound Name: | 2-(5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | CC(C)CCOc1ccc(/C=C2/C(n3c(nc(c4ccccc4OC(C)=O)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7627 |
| logD: | 4.7627 |
| logSw: | -4.5706 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.169 |
| InChI Key: | BKQCQYAMFWXMBX-UHFFFAOYSA-N |