2-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
2-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one
Compound characteristics
Compound ID: | T634-0647 |
Compound Name: | 2-methyl-1-{7-[(piperidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}propan-1-one |
Molecular Weight: | 316.44 |
Molecular Formula: | C19 H28 N2 O2 |
Smiles: | CC(C)C(N1CCOc2ccc(CN3CCCCC3)cc2C1)=O |
Stereo: | ACHIRAL |
logP: | 2.9939 |
logD: | 1.3628 |
logSw: | -3.0536 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 28.835 |
InChI Key: | JUYSEPAPAREWTL-UHFFFAOYSA-N |