N-(2-methoxy-5-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
N-(2-methoxy-5-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
Compound characteristics
| Compound ID: | C038-0093 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | COc1ccc(cc1NC(C1=COC(c2ccccc12)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2122 |
| logD: | 0.0693 |
| logSw: | -3.0994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.227 |
| InChI Key: | NQMRNOMGHLHKLA-UHFFFAOYSA-N |