N-(3-nitrodibenzo[b,f]oxepin-1-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(3-nitrodibenzo[b,f]oxepin-1-yl)cyclohexanecarboxamide
N-(3-nitrodibenzo[b,f]oxepin-1-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | 8011-8331 |
| Compound Name: | N-(3-nitrodibenzo[b,f]oxepin-1-yl)cyclohexanecarboxamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | C1CCC(CC1)C(Nc1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0288 |
| logD: | 5.0246 |
| logSw: | -4.9468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.35 |
| InChI Key: | VFJKEADQUDOIIR-UHFFFAOYSA-N |