2-({6-[(azepan-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-({6-[(azepan-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-[(2-chlorophenyl)methyl]acetamide
2-({6-[(azepan-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | IB06-5522 |
| Compound Name: | 2-({6-[(azepan-1-yl)methyl]-4-oxo-4H-pyran-3-yl}oxy)-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 404.89 |
| Molecular Formula: | C21 H25 Cl N2 O4 |
| Smiles: | C1CCCN(CC1)CC1=CC(C(=CO1)OCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.86 |
| logD: | 1.99 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.01 |
| InChI Key: | SWISQVDAJFNYMI-UHFFFAOYSA-N |