(azepan-1-yl){1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Chemical Structure Depiction of
(azepan-1-yl){1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
(azepan-1-yl){1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Compound characteristics
| Compound ID: | Y502-3929 |
| Compound Name: | (azepan-1-yl){1-[(2-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | C1CCCN(CC1)C(c1ccn(COc2ccccc2[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6887 |
| logD: | 2.6887 |
| logSw: | -3.004 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.748 |
| InChI Key: | YNYLVKDMRIIGLM-UHFFFAOYSA-N |