7-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Chemical Structure Depiction of
7-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
7-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Compound characteristics
| Compound ID: | Y502-3866 |
| Compound Name: | 7-[(3-bromo-5-methoxy-4-propoxyphenyl)methylidene]-3-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C22 H21 Br N4 O2 S |
| Smiles: | CCCOc1c(cc(/C=C2/C(c3ccccc3)=Nn3c(C)nnc3S2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 5.0809 |
| logD: | 5.0795 |
| logSw: | -4.948 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.154 |
| InChI Key: | FQWSYVOSEDNHDE-UHFFFAOYSA-N |