N-(2-hydroxy-2-phenylethyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
N-(2-hydroxy-2-phenylethyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
N-(2-hydroxy-2-phenylethyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
| Compound ID: | 8016-3611 |
| Compound Name: | N-(2-hydroxy-2-phenylethyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C23 H18 N2 O5 |
| Smiles: | C(C(c1ccccc1)O)NC(c1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0443 |
| logD: | 4.0443 |
| logSw: | -4.2367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.33 |
| InChI Key: | PAODHJAHSLKMKE-FQEVSTJZSA-N |