ethyl 6-phenyl-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 6-phenyl-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
ethyl 6-phenyl-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | 8016-9178 |
| Compound Name: | ethyl 6-phenyl-3-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 358.34 |
| Molecular Formula: | C14 H13 F3 N4 O2 S |
| Smiles: | [H]C1(c2ccccc2)C([H])(C(=O)OCC)Sc2nnc(C(F)(F)F)n2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9656 |
| logD: | 2.9656 |
| logSw: | -3.2282 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.717 |
| InChI Key: | VVQMLZRWAQZMQM-UHFFFAOYSA-N |