N-{2-[(adamantan-1-yl)oxy]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8016-0156 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-8-methoxy-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C23 H26 N2 O7 |
| Smiles: | COc1cc(cc2C=C(C(NCCOC34CC5CC(CC(C5)C4)C3)=O)C(=O)Oc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8149 |
| logD: | 3.8149 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.372 |
| InChI Key: | MGAUIWYLWMILQS-UHFFFAOYSA-N |