N-{2-[(adamantan-1-yl)oxy]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8014-1143 |
| Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-6-nitro-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H24 N2 O6 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)OCCNC(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8359 |
| logD: | 3.8358 |
| logSw: | -4.2977 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.057 |
| InChI Key: | LNGLQEDNEOGFBK-UHFFFAOYSA-N |