7-[2-(azepan-1-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[2-(azepan-1-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
7-[2-(azepan-1-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1682-1589 |
| Compound Name: | 7-[2-(azepan-1-yl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C18 H21 N O4 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.244 |
| logD: | 2.244 |
| logSw: | -2.9828 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.597 |
| InChI Key: | BIRWGYJGASEFTG-UHFFFAOYSA-N |