4-(azepan-1-yl)-3-nitro-N-pentylbenzamide
Chemical Structure Depiction of
4-(azepan-1-yl)-3-nitro-N-pentylbenzamide
4-(azepan-1-yl)-3-nitro-N-pentylbenzamide
Compound characteristics
| Compound ID: | K781-6477 |
| Compound Name: | 4-(azepan-1-yl)-3-nitro-N-pentylbenzamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C18 H27 N3 O3 |
| Smiles: | CCCCCNC(c1ccc(c(c1)[N+]([O-])=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2056 |
| logD: | 4.2056 |
| logSw: | -4.2315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.328 |
| InChI Key: | DWCZHMXPMSOWBP-UHFFFAOYSA-N |