N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8017-3435 |
| Compound Name: | N-{1-[4-(1H-imidazol-1-yl)phenyl]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | CC(c1ccc(cc1)n1ccnc1)NC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3676 |
| logD: | 2.3422 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.844 |
| InChI Key: | CSZNAUMEUWTBGB-ZDUSSCGKSA-N |