6-bromo-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8017-8440 |
| Compound Name: | 6-bromo-N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C22 H18 Br N3 O4 |
| Smiles: | CC(c1ccc(cc1)n1ccnc1)NC(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2973 |
| logD: | 3.2719 |
| logSw: | -3.6604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.777 |
| InChI Key: | BEMDDOOHBKGAGS-ZDUSSCGKSA-N |