2,2,2-trifluoro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}acetamide
Chemical Structure Depiction of
2,2,2-trifluoro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}acetamide
2,2,2-trifluoro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}acetamide
Compound characteristics
| Compound ID: | Y501-5666 |
| Compound Name: | 2,2,2-trifluoro-N-{3-[(2-hydroxyethyl)sulfanyl]-5-nitrophenyl}acetamide |
| Molecular Weight: | 310.25 |
| Molecular Formula: | C10 H9 F3 N2 O4 S |
| Smiles: | C(CSc1cc(cc(c1)[N+]([O-])=O)NC(C(F)(F)F)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.9445 |
| logD: | 0.4774 |
| logSw: | -2.6758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.638 |
| InChI Key: | UIOGUUZUYSESLE-UHFFFAOYSA-N |