6-[(3-bromophenyl)methylidene]-3-(3,4-dimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Chemical Structure Depiction of
6-[(3-bromophenyl)methylidene]-3-(3,4-dimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
6-[(3-bromophenyl)methylidene]-3-(3,4-dimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Compound characteristics
| Compound ID: | 6236-4574 |
| Compound Name: | 6-[(3-bromophenyl)methylidene]-3-(3,4-dimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one |
| Molecular Weight: | 444.3 |
| Molecular Formula: | C19 H14 Br N3 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nnc2n1C(/C(=C/c1cccc(c1)[Br])S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8792 |
| logD: | 3.8792 |
| logSw: | -4.1504 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.205 |
| InChI Key: | PBXOULRXXYYXDB-UHFFFAOYSA-N |