5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)[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}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-1926 |
| Compound Name: | 5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C26 H29 N3 O6 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3cc(c(c(c3)OC)OC)OC)n2)S1)=O)\c1ccc(c(c1)OC)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.9374 |
| logD: | 4.9374 |
| logSw: | -4.5935 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.309 |
| InChI Key: | ZBAYBTLSBHAJEE-UHFFFAOYSA-N |