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}-3-nitrobenzamide
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}-3-nitrobenzamide
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}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 6376-0027 |
| 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}-3-nitrobenzamide |
| Molecular Weight: | 485.46 |
| Molecular Formula: | C19 H14 F3 N3 O5 S2 |
| Smiles: | C1[C@@H]2[C@H](CS1(=O)=O)SC(=N/C(c1cccc(c1)[N+]([O-])=O)=O)\N2c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0065 |
| logD: | 3.0065 |
| logSw: | -3.4757 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.011 |
| InChI Key: | PJZDSXTZZQUBLV-UHFFFAOYSA-N |