N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-4-nitrobenzamide
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | E002-2743 |
| Compound Name: | N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-4-nitrobenzamide |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | C1CCCN(CC1)C(c1c(c2ccccc2o1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9143 |
| logD: | 3.3722 |
| logSw: | -4.1125 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.821 |
| InChI Key: | ABKYPQRAAVOXSO-UHFFFAOYSA-N |