(azepan-1-yl){1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Chemical Structure Depiction of
(azepan-1-yl){1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
(azepan-1-yl){1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Compound characteristics
| Compound ID: | Y502-3650 |
| Compound Name: | (azepan-1-yl){1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazol-3-yl}methanone |
| Molecular Weight: | 378.81 |
| Molecular Formula: | C17 H19 Cl N4 O4 |
| Smiles: | C1CCCN(CC1)C(c1ccn(COc2ccc(cc2[Cl])[N+]([O-])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2899 |
| logD: | 3.2899 |
| logSw: | -3.5098 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.049 |
| InChI Key: | JYZUKQXNJLPGAY-UHFFFAOYSA-N |