N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-3-nitrobenzamide
N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | C301-6430 |
| Compound Name: | N-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NC1=C(c2ccccc2OC1=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1029 |
| logD: | -2.4636 |
| logSw: | -3.0808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.602 |
| InChI Key: | YHAYJTFBKVUALU-UHFFFAOYSA-N |