5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0648 |
| Compound Name: | 5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c(c1)OC)OCCCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8035 |
| logD: | 4.8035 |
| logSw: | -4.6697 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.768 |
| InChI Key: | VMFQHUKLIPFKHP-FQEVSTJZSA-N |