N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | 7238-1262 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 497.93 |
| Molecular Formula: | C21 H19 Cl F3 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(C(Nc2cc(ccc2[Cl])C(F)(F)F)=O)Sc2nnc(C)n2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4935 |
| logD: | 4.1827 |
| logSw: | -4.7033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.257 |
| InChI Key: | NRPBZRVANZGULC-UHFFFAOYSA-N |