N-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
N-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2125-0540 |
| Compound Name: | N-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)NC(c2ccc(cc2)[N+]([O-])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6318 |
| logD: | 2.6285 |
| logSw: | -3.2108 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.14 |
| InChI Key: | JRYIWKGAHVNLRN-UHFFFAOYSA-N |