N-(2-methyl-3-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
N-(2-methyl-3-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide
Compound characteristics
| Compound ID: | C066-2184 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-1-oxo-1H-2-benzopyran-4-carboxamide |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(C1=COC(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5581 |
| logD: | 1.5778 |
| logSw: | -3.1771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.296 |
| InChI Key: | OHEFKHDBTJHAAJ-UHFFFAOYSA-N |