N-(2-methoxy-5-nitrophenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(2-methoxy-5-nitrophenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | K953-0079 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-4-(4-methylphenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C24 H18 N2 O6 |
| Smiles: | Cc1ccc(cc1)C1=C(C(Nc2cc(ccc2OC)[N+]([O-])=O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 4.3514 |
| logSw: | -4.494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.373 |
| InChI Key: | VJOJKBWMURHMKO-UHFFFAOYSA-N |