N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0522 |
| Compound Name: | N-[3-(2,4-difluorophenoxy)-5-nitrophenyl]-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 514.44 |
| Molecular Formula: | C28 H16 F2 N2 O6 |
| Smiles: | c1ccc(cc1)C1=C(C(Nc2cc(cc(c2)Oc2ccc(cc2F)F)[N+]([O-])=O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9118 |
| logD: | 5.9066 |
| logSw: | -6.0354 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.275 |
| InChI Key: | YVZCWQAVDXAQIK-UHFFFAOYSA-N |