N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-nitrophenyl)acetamide
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | E002-2737 |
| Compound Name: | N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-nitrophenyl)acetamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | C1CCCN(CC1)C(c1c(c2ccccc2o1)NC(Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9406 |
| logD: | 3.855 |
| logSw: | -4.0704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.607 |
| InChI Key: | NSYXLTVGBZUCSO-UHFFFAOYSA-N |