4-(azepan-1-yl)-N-butyl-3-nitrobenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-butyl-3-nitrobenzamide
4-(azepan-1-yl)-N-butyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-6483 |
| Compound Name: | 4-(azepan-1-yl)-N-butyl-3-nitrobenzamide |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C17 H25 N3 O3 |
| Smiles: | CCCCNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7766 |
| logD: | 3.7766 |
| logSw: | -3.8826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | RJNCPOQTTRNUJI-UHFFFAOYSA-N |