N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-6-phenyl-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]-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
Compound ID: | 7238-0942 |
Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide |
Molecular Weight: | 453.87 |
Molecular Formula: | C19 H15 Cl F3 N5 O S |
Smiles: | Cc1nnc2n1NC(C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)S2)c1ccccc1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.1289 |
logD: | 3.818 |
logSw: | -4.5425 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.134 |
InChI Key: | DZEQOMWEJITBLW-UHFFFAOYSA-N |