N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(3-nitrophenyl)acetamide
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(3-nitrophenyl)acetamide
Compound characteristics
Compound ID: | E002-2751 |
Compound Name: | N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(3-nitrophenyl)acetamide |
Molecular Weight: | 421.45 |
Molecular Formula: | C23 H23 N3 O5 |
Smiles: | C1CCCN(CC1)C(c1c(c2ccccc2o1)NC(Cc1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9226 |
logD: | 3.837 |
logSw: | -4.1331 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.607 |
InChI Key: | BQGRUUHELITGKV-UHFFFAOYSA-N |