N-(2-methyl-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-methyl-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(2-methyl-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6049-1475 |
| Compound Name: | N-(2-methyl-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | Cc1ccc(cc1NC(C1=Cc2ccccc2C(=O)O1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0163 |
| logD: | 2.9227 |
| logSw: | -3.6694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.42 |
| InChI Key: | TUFOUOCFFNCXKA-UHFFFAOYSA-N |