cyclopentyl{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
Chemical Structure Depiction of
cyclopentyl{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
cyclopentyl{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone
Compound characteristics
| Compound ID: | T634-0856 |
| Compound Name: | cyclopentyl{7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methanone |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C25 H30 N2 O2 |
| Smiles: | C1CCC(C1)C(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5388 |
| logD: | 4.1601 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7835 |
| InChI Key: | WSMXEHLLFOHEEM-UHFFFAOYSA-N |