6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K219-0698 |
| Compound Name: | 6-nitro-2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 378.26 |
| Molecular Formula: | C17 H9 F3 N2 O5 |
| Smiles: | C1=C(C(Nc2cccc(c2)C(F)(F)F)=O)C(=O)Oc2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.886 |
| logD: | 3.6307 |
| logSw: | -4.3068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.633 |
| InChI Key: | POVJWOJAUQFYHL-UHFFFAOYSA-N |