3'-phenyl-N-[2-(trifluoromethyl)phenyl]-5'H,7'H-spiro[cyclopentane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
Chemical Structure Depiction of
3'-phenyl-N-[2-(trifluoromethyl)phenyl]-5'H,7'H-spiro[cyclopentane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
3'-phenyl-N-[2-(trifluoromethyl)phenyl]-5'H,7'H-spiro[cyclopentane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
Compound characteristics
| Compound ID: | D137-0022 |
| Compound Name: | 3'-phenyl-N-[2-(trifluoromethyl)phenyl]-5'H,7'H-spiro[cyclopentane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C22 H20 F3 N5 O S |
| Smiles: | C1CCC2(C1)C(C(Nc1ccccc1C(F)(F)F)=O)Sc1nnc(c3ccccc3)n1N2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7959 |
| logD: | 4.7959 |
| logSw: | -4.821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.73 |
| InChI Key: | ZVYAUOAZAJTHLZ-QGZVFWFLSA-N |