5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3116 |
| Compound Name: | 5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C17 H19 N3 O3 S |
| Smiles: | CC(C)CCOc1ccc(/C=C2/C(n3c(ncn3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2704 |
| logD: | 3.2704 |
| logSw: | -3.4493 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.543 |
| InChI Key: | ZKIOMIXBTKKJIR-UHFFFAOYSA-N |