N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-3-(3-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-3-(3-nitrophenyl)prop-2-enamide
N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-3-(3-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 2316-2078 |
| Compound Name: | N-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-3-(3-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 415.2 |
| Molecular Formula: | C18 H11 Br N2 O5 |
| Smiles: | C(=C/c1cccc(c1)[N+]([O-])=O)\C(NC1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2244 |
| logD: | 4.183 |
| logSw: | -4.6372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.383 |
| InChI Key: | CJEQXCRIASRNDT-UHFFFAOYSA-N |