1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethan-1-one
1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | Y205-3497 |
| Compound Name: | 1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 292.33 |
| Molecular Formula: | C15 H20 N2 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)OCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8478 |
| logD: | 2.8478 |
| logSw: | -3.2831 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.27 |
| InChI Key: | LABZJLLLVUEJIV-UHFFFAOYSA-N |