2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0161 |
| Compound Name: | 2-(4-nitrophenyl)-4-{[3-(trifluoromethyl)anilino]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 377.28 |
| Molecular Formula: | C17 H10 F3 N3 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/Nc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8903 |
| logD: | 3.8851 |
| logSw: | -4.2982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.358 |
| InChI Key: | QODMDMVTUZHVAX-UHFFFAOYSA-N |