N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8010-7942 |
| Compound Name: | N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 408.29 |
| Molecular Formula: | C18 H11 F3 N2 O6 |
| Smiles: | C(C(F)(F)F)Oc1cc(cc(c1)[N+]([O-])=O)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8709 |
| logD: | 2.7403 |
| logSw: | -4.2877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.132 |
| InChI Key: | CJHJEXWSDDUGMO-UHFFFAOYSA-N |