N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8017-8438 |
| Compound Name: | N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 434.41 |
| Molecular Formula: | C22 H18 N4 O6 |
| Smiles: | CC(c1ccc(cc1)n1ccnc1)NC(C1=Cc2cc(cc(c2OC1=O)OC)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3466 |
| logD: | 2.3213 |
| logSw: | -2.9251 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.158 |
| InChI Key: | BHGXJWFUAKETPO-ZDUSSCGKSA-N |