6-nitro-3-[(piperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-nitro-3-[(piperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one
6-nitro-3-[(piperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8006-6674 |
| Compound Name: | 6-nitro-3-[(piperidin-1-yl)methyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 277.28 |
| Molecular Formula: | C13 H15 N3 O4 |
| Smiles: | C1CCN(CC1)CN1C(=O)Oc2cc(ccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3925 |
| logD: | 0.7865 |
| logSw: | -2.8694 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.875 |
| InChI Key: | HSOUZZCVNFAIKP-UHFFFAOYSA-N |