4-oxo-4-{2-[(trifluoromethyl)sulfanyl]anilino}but-2-enoic acid
Chemical Structure Depiction of
4-oxo-4-{2-[(trifluoromethyl)sulfanyl]anilino}but-2-enoic acid
4-oxo-4-{2-[(trifluoromethyl)sulfanyl]anilino}but-2-enoic acid
Compound characteristics
| Compound ID: | 4676-0343 |
| Compound Name: | 4-oxo-4-{2-[(trifluoromethyl)sulfanyl]anilino}but-2-enoic acid |
| Molecular Weight: | 291.25 |
| Molecular Formula: | C11 H8 F3 N O3 S |
| Smiles: | C(=C/C(Nc1ccccc1SC(F)(F)F)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2637 |
| logD: | -1.1946 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.074 |
| InChI Key: | PIDUNTNZZJUVNJ-AATRIKPKSA-N |