N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2125-0541 |
| Compound Name: | N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-4-nitrobenzamide |
| Molecular Weight: | 389.16 |
| Molecular Formula: | C16 H9 Br N2 O5 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Br])NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3665 |
| logD: | 3.313 |
| logSw: | -3.8531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.596 |
| InChI Key: | SSOOMOCVLSZGOB-UHFFFAOYSA-N |