2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0688 |
| Compound Name: | 2-(4-bromophenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 474.33 |
| Molecular Formula: | C20 H16 Br N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)[Br])n2)S1)=O)\c1cc(c(c(c1)OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6742 |
| logD: | 4.6742 |
| logSw: | -4.6654 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.174 |
| InChI Key: | BBCYDZFKDKMWEX-UHFFFAOYSA-N |