(azepan-1-yl){1-[(2-bromo-4-chlorophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Chemical Structure Depiction of
(azepan-1-yl){1-[(2-bromo-4-chlorophenoxy)methyl]-1H-pyrazol-3-yl}methanone
(azepan-1-yl){1-[(2-bromo-4-chlorophenoxy)methyl]-1H-pyrazol-3-yl}methanone
Compound characteristics
| Compound ID: | Y502-4616 |
| Compound Name: | (azepan-1-yl){1-[(2-bromo-4-chlorophenoxy)methyl]-1H-pyrazol-3-yl}methanone |
| Molecular Weight: | 412.71 |
| Molecular Formula: | C17 H19 Br Cl N3 O2 |
| Smiles: | C1CCCN(CC1)C(c1ccn(COc2ccc(cc2[Br])[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.215 |
| logD: | 4.215 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.668 |
| InChI Key: | MXUFLNSFCHSAIH-UHFFFAOYSA-N |