1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-methylpropan-1-one
1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-methylpropan-1-one
Compound characteristics
Compound ID: | T634-0503 |
Compound Name: | 1-{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}-2-methylpropan-1-one |
Molecular Weight: | 330.47 |
Molecular Formula: | C20 H30 N2 O2 |
Smiles: | CC(C)C(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
Stereo: | ACHIRAL |
logP: | 3.4898 |
logD: | 1.8837 |
logSw: | -3.4161 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 29.166 |
InChI Key: | AJPHEZDTZQMOAT-UHFFFAOYSA-N |