4-[(azepan-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-[(azepan-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one
4-[(azepan-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0012 |
| Compound Name: | 4-[(azepan-1-yl)methyl]-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCCCCC1)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.2167 |
| logD: | 2.7783 |
| logSw: | -3.5409 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.833 |
| InChI Key: | VAHQXBWVPLUSOT-UHFFFAOYSA-N |