N-(4-methyl-3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-methyl-3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(4-methyl-3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1988-1002 |
| Compound Name: | N-(4-methyl-3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2855 |
| logD: | 2.8482 |
| logSw: | -3.7738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.332 |
| InChI Key: | DNAQWVCDMRLUOD-UHFFFAOYSA-N |