6-[(5-bromo-2-methoxyphenyl)methylidene]-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Chemical Structure Depiction of
6-[(5-bromo-2-methoxyphenyl)methylidene]-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
6-[(5-bromo-2-methoxyphenyl)methylidene]-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Compound characteristics
| Compound ID: | 8013-0142 |
| Compound Name: | 6-[(5-bromo-2-methoxyphenyl)methylidene]-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one |
| Molecular Weight: | 414.28 |
| Molecular Formula: | C18 H12 Br N3 O2 S |
| Smiles: | COc1ccc(cc1/C=C1/C(n2c(c3ccccc3)nnc2S1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3415 |
| logD: | 4.3415 |
| logSw: | -4.4714 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.575 |
| InChI Key: | NCQWAWXQXZFRLV-UHFFFAOYSA-N |