N-(3-nitrophenyl)azepane-1-carboxamide
Chemical Structure Depiction of
N-(3-nitrophenyl)azepane-1-carboxamide
N-(3-nitrophenyl)azepane-1-carboxamide
Compound characteristics
| Compound ID: | Y207-3972 |
| Compound Name: | N-(3-nitrophenyl)azepane-1-carboxamide |
| Molecular Weight: | 263.29 |
| Molecular Formula: | C13 H17 N3 O3 |
| Smiles: | C1CCCN(CC1)C(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0259 |
| logD: | 3.0259 |
| logSw: | -3.3243 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.42 |
| InChI Key: | CDFBPRCEOIBCIK-UHFFFAOYSA-N |