4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitrobenzamide
4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-7107 |
| Compound Name: | 4-(azepan-1-yl)-N-(2-ethylphenyl)-3-nitrobenzamide |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C21 H25 N3 O3 |
| Smiles: | CCc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.996 |
| logD: | 4.9951 |
| logSw: | -4.6029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.195 |
| InChI Key: | QQOWMLWVGYSSMV-UHFFFAOYSA-N |