1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D323-0320 |
| Compound Name: | 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | C1CN(CCC1c1nc2ccccc2o1)C(COc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1815 |
| logD: | 3.1815 |
| logSw: | -3.4788 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.836 |
| InChI Key: | QGXMCWOQPHBCLH-UHFFFAOYSA-N |