N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrofuran-2-carboxamide
Chemical Structure Depiction of
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrofuran-2-carboxamide
N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrofuran-2-carboxamide
Compound characteristics
| Compound ID: | 2081-1719 |
| Compound Name: | N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-5-nitrofuran-2-carboxamide |
| Molecular Weight: | 390.35 |
| Molecular Formula: | C21 H14 N2 O6 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)NC(c1ccc([N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8295 |
| logD: | 3.8266 |
| logSw: | -4.1479 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.64 |
| InChI Key: | KMQWEEZMAZFNQJ-UHFFFAOYSA-N |