6-[(3-bromophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Chemical Structure Depiction of
6-[(3-bromophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
6-[(3-bromophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Compound characteristics
| Compound ID: | 6236-4579 |
| Compound Name: | 6-[(3-bromophenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one |
| Molecular Weight: | 474.33 |
| Molecular Formula: | C20 H16 Br N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1C(/C(=C/c1cccc(c1)[Br])S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7392 |
| logD: | 3.7392 |
| logSw: | -4.0596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.922 |
| InChI Key: | ABSJUSAZIIGQEG-UHFFFAOYSA-N |