N-{rel-(2Z,3aR,6aR)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-{rel-(2Z,3aR,6aR)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
N-{rel-(2Z,3aR,6aR)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D128-0539 |
| Compound Name: | N-{rel-(2Z,3aR,6aR)-5,5-dioxo-3-[3-(trifluoromethyl)phenyl]hexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene}-2,2-dimethylpropanamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C17 H19 F3 N2 O3 S2 |
| Smiles: | CC(C)(C)C(/N=C1/N(c2cccc(c2)C(F)(F)F)[C@@H]2CS(C[C@@H]2S1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9942 |
| logD: | 2.9942 |
| logSw: | -3.3587 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.901 |
| InChI Key: | KCXSPPRGQFLJFE-UHFFFAOYSA-N |