{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(4-methoxyphenyl)methanone
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | T634-0499 |
| Compound Name: | {7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 394.51 |
| Molecular Formula: | C24 H30 N2 O3 |
| Smiles: | COc1ccc(cc1)C(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8089 |
| logD: | 2.2029 |
| logSw: | -3.9074 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.438 |
| InChI Key: | PWOBPZJLXSBOSC-UHFFFAOYSA-N |