5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-0988 |
| Compound Name: | 5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C22 H20 Br N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCCCC)n2)S1)=O)\c1cc(ccc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.4956 |
| logD: | 6.4956 |
| logSw: | -5.5868 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.244 |
| InChI Key: | CAPDUOIELXBEAX-UHFFFAOYSA-N |